Bibliographic Details
| Title: |
Finding diffusive directions in supercooled liquids by partial minimization of the potential energy |
| Authors: |
Chowdhary, J.1, Keyes, T. keyes@chem.bu.edu |
| Source: |
Physica A. Nov2002, Vol. 314 Issue 1-4, p575. 8p. |
| Subjects: |
Supercooled liquids, Diffusion |
| Abstract: |
Imaginary frequency instantaneous normal modes are attractive candidates for the diffusive motions in supercooled liquids. However, two-level systems and roughness of the multidimensional potential energy (U) landscape lead to Im −ω modes unrelated to diffusion. It is shown that a small number (3 or 4) of steps taken while seeking a minimum of U removes such artifacts and leads to excellent diffusive modes. In general the time- and minimization step-dependent U(n,t) reveals a detailed picture of supercooled dynamics in terms of the landscape. [Copyright &y& Elsevier] |
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| Database: |
Engineering Source |
