--- trunk/nonperiodicVSS/nonperiodicVSS.tex 2014/01/23 23:26:39 4009 +++ trunk/nonperiodicVSS/nonperiodicVSS.tex 2014/01/24 15:48:05 4010 @@ -534,7 +534,7 @@ Most strikingly, this method enables calculation of th We have demonstrated a novel adaptation of the VSS-RNEMD methodology for the application of thermal and angular momentum fluxes in explicitly non-periodic system geometries. Non-periodic VSS-RNEMD preserves the virtues of traditional VSS-RNEMD, namely Boltzmann thermal velocity distributions and minimal thermal anisotropy, while extending the constraints to conserve total energy and total \emph{angular} momentum. We also still have the ability to impose the thermal and angular momentum fluxes simultaneously or individually. -Most strikingly, this method enables calculation of thermal conductivity in homogeneous non-periodic geometries, as well as interfacial thermal conductance and interfacial rotational friction in heterogeneous clusters. The ability to interrogate explicitly non-periodic effects -- such as surface curvature -- on interfacial transport properties is an exciting prospect that will be investigated in the future. +Most strikingly, this method enables calculation of thermal conductivity in homogeneous non-periodic geometries, as well as interfacial thermal conductance and interfacial rotational friction in heterogeneous clusters. The ability to interrogate explicitly non-periodic effects -- such as surface curvature -- on interfacial transport properties is an exciting prospect that will be explored in the future. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % **ACKNOWLEDGMENTS**