http://imechanica.org/node/3060 Comments for "Continuum interpretation of virial stress in molecular simulations" en http://imechanica.org/node/3060 <p><em>Arun K. Subramaniyan</em> and C. T. Sun, <em>accepted for publication in International Journal of Solids and Structures</em>, <a href="http://dx.doi.org/10.1016/j.ijsolstr.2008.03.016">doi:10.1016/j.ijsolstr.2008.03.016</a> </p> <p> The equivalence of the virial stress and Cauchy stress is reviewed<br /> using both theoretical arguments and numerical simulations. Using<br /> thermoelasticity problems as examples, we numerically demonstrate that<br /> virial stress is equivalent to the continuum Cauchy stress. Neglecting<br /> the velocity terms in the definition of virial stress as many authors<br /> have recently suggested, can cause significant errors in interpreting<br /> MD simulation results at elevated temperatures (T &gt; 0 K). </p> <br class="clear" /> http://imechanica.org/node/3060#comments research molecular dynamics Virial Stress Mon, 14 Apr 2008 11:29:40 -0400 Arun K. Subramaniyan 3060 at http://imechanica.org