Structural and dynamical heterogeneity in a glass-forming liquid Export

@article{citeulike:2909742, abstract = {We use the \"isoconfigurational ensemble\" [Phys. Rev. Lett. 93, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass-forming molecular liquid. We show that spatially correlated clusters of low-potential-energy molecules are observable on the time scale of structural relaxation, despite the absence of spatial correlations of potential energy in the instantaneous structure of the system. We find that these structural heterogeneities correlate with dynamical heterogeneities in the form of clusters of low molecular mobility.}, author = {Matharoo, Gurpreet S. and Razul, M. S. Gulam and Poole, Peter H.}, citeulike-article-id = {2909742}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PLEEE8000074000005050502000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRE/v74/e050502}, citeulike-linkout-2 = {http://dx.doi.org/10.1103/PhysRevE.74.050502}, doi = {10.1103/PhysRevE.74.050502}, journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)}, keywords = {diffusion, dynahetero, glass, simulation, water}, number = {5}, pages = {050502+}, posted-at = {2009-07-08 09:22:15}, priority = {2}, publisher = {APS}, title = {Structural and dynamical heterogeneity in a glass-forming liquid}, url = {http://dx.doi.org/10.1103/PhysRevE.74.050502}, volume = {74}, year = {2006} }

TY - JOUR ID - citeulike:2909742 L3 - citeulike-article-id:2909742 N2 - We use the "isoconfigurational ensemble" [Phys. Rev. Lett. 93, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass-forming molecular liquid. We show that spatially correlated clusters of low-potential-energy molecules are observable on the time scale of structural relaxation, despite the absence of spatial correlations of potential energy in the instantaneous structure of the system. We find that these structural heterogeneities correlate with dynamical heterogeneities in the form of clusters of low molecular mobility. IS - 5 JF - Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) TI - Structural and dynamical heterogeneity in a glass-forming liquid PB - APS VL - 74 SP - 050502 KW - diffusion KW - dynahetero KW - glass KW - simulation KW - water AU - Matharoo, Gurpreet AU - Razul, Gulam AU - Poole, Peter PY - 2006/// UR - http://dx.doi.org/10.1103/PhysRevE.74.050502 ER -