Coupling and Decoupling between Translational and Rotational Dynamics in a Supercooled Molecular Liquid Export

@article{citeulike:5029922, abstract = {We use molecular dynamics simulations to investigate the coupling and decoupling between translational and rotational dynamics in a glass-forming liquid of dumbbells. We find that the coupling between the translational (q[sup *]C" align="middle"/>) and rotational (2) relaxation times increases with decreasing temperature T, whereas the coupling decreases between the translational (Dt) and rotational (Dr) diffusivities. In addition, the T dependence of Dt decouples from that of 1/2. We show that the decreasing coupling between Dt and Dr is only apparent due to the inadequacy of the concept of the rotational diffusion constant for describing the reorientational dynamics in the supercooled state. We also argue that the coupling between q[sup *]C" align="middle"/> and 2 and the decoupling between Dt and 1/2 can be consistently understood in terms of the growing dynamic length scale.}, author = {Chong, Song H. and Kob, Walter}, citeulike-article-id = {5029922}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRLTAO000102000002025702000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRL/v102/e025702}, citeulike-linkout-2 = {http://dx.doi.org/10.1103/PhysRevLett.102.025702}, doi = {10.1103/PhysRevLett.102.025702}, journal = {Physical Review Letters}, keywords = {diffusion, glass, simulation}, number = {2}, pages = {025702+}, posted-at = {2009-07-01 06:19:43}, priority = {0}, publisher = {APS}, title = {Coupling and Decoupling between Translational and Rotational Dynamics in a Supercooled Molecular Liquid}, url = {http://dx.doi.org/10.1103/PhysRevLett.102.025702}, volume = {102}, year = {2009} }

TY - JOUR ID - citeulike:5029922 L3 - citeulike-article-id:5029922 N2 - We use molecular dynamics simulations to investigate the coupling and decoupling between translational and rotational dynamics in a glass-forming liquid of dumbbells. We find that the coupling between the translational (q[sup *]C" align="middle"/>) and rotational (2) relaxation times increases with decreasing temperature T, whereas the coupling decreases between the translational (Dt) and rotational (Dr) diffusivities. In addition, the T dependence of Dt decouples from that of 1/2. We show that the decreasing coupling between Dt and Dr is only apparent due to the inadequacy of the concept of the rotational diffusion constant for describing the reorientational dynamics in the supercooled state. We also argue that the coupling between q[sup *]C" align="middle"/> and 2 and the decoupling between Dt and 1/2 can be consistently understood in terms of the growing dynamic length scale. IS - 2 JF - Physical Review Letters TI - Coupling and Decoupling between Translational and Rotational Dynamics in a Supercooled Molecular Liquid PB - APS VL - 102 SP - 025702 KW - diffusion KW - glass KW - simulation AU - Chong, Song AU - Kob, Walter PY - 2009/// UR - http://dx.doi.org/10.1103/PhysRevLett.102.025702 ER -