Nonlinear Corrections to Temperature in Computer Simulations of Complex Systems
Final rept. 1 Oct 2011-31 Mar 2015
ARIZONA STATE UNIV TEMPE
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Temperature is the familiar thermodynamic quantity that governs heat flow between large systems. However, temperature comes from just the linear first-order derivative of entropy with respect to energy, so that nonlinear corrections may contribute significantly to the equilibrium properties of small systems. Moreover, the nonlinear corrections also influence the thermal and dynamic properties of independently-relaxing nanometer-sized regions hot spots inside bulk materials. Several experimental techniques have shown that such localized regions dominate the primary response of most materials. During the grant period we have greatly extended our fundamental understanding of these regions, and can now simulate several of their properties. This Final Report describes our key findings, with an emphasis on comparing computer simulations to experimental data.
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