Local Energy Landscape in a Simple Liquid

Original · EN

It is difficult to relate the properties of liquids and glasses directly to their structure because of complexity in the structure which defies precise definition. The potential energy landscape (PEL) approach is a very insightful way to conceptualize the structure-property relationship in liquids and glasses, particularly on the effect of temperature and history. However, because of the highly multi-dimensional nature of the PEL it is hard to determine, or even visualize, the actual details of the energy landscape. In this article we introduce a modified concept of the local energy landscape (LEL) which is limited in phase space, and demonstrate its usefulness using molecular dynamics simulation on a simple liquid at high temperatures. The local energy landscape is given as a function of the local coordination number, the number of the nearest neighbor atoms. The excitations in the LEL corresponds to the so-called beta-relaxation process. The LEL offers a simple but useful starting point to discuss complex phenomena in liquids and glasses.