The potential energy landscape in the Lennard-Jones binary mixture model
نویسندگان
چکیده
منابع مشابه
Energy Landscape and Overlap Distribution of Binary Lennard-Jones Glasses
– We study the distribution of overlaps of glassy minima, taking proper care of residual symmetries of the system. Ensembles of locally stable, low lying glassy states are efficiently generated by rapid cooling from the liquid phase which has been equilibrated at a temperature Trun. Varying Trun, we observe a transition from a regime where a broad range of states are sampled to a regime where t...
متن کاملConnectivity in the potential energy landscape for binary Lennard-Jones systems.
Connectivity in the potential energy landscape of a binary Lennard-Jones system can be characterized at the level of cage-breaking. We calculate the number of cage-breaking routes from a given local minimum and determine the branching probabilities at different temperatures, along with correlation factors that represent the repeated reversals of cage-breaking events. The number of reversals inc...
متن کاملParticle rearrangements during transitions between local minima of the potential energy landscape of a binary Lennard-Jones liquid.
The potential energy landscape (PEL) of binary Lennard-Jones (BLJ) mixtures exhibits local minima, or inherent structures (IS), which are organized into metabasins (MBs). We study the particle rearrangements related to transitions between both successive IS and successive MB for a small 80:20 BLJ system near the mode-coupling temperature TMCT. The analysis includes the displacements of individu...
متن کاملSaddles on the potential energy landscape of a Lennard - Jones liquid 1
By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation between the degree of instability of the stationary points and their potential energy, and we locate the energy where the instability vanishes. This threshold ener...
متن کاملLennard-Jones binary mixture in disordered matrices: exploring the mode coupling scenario at increasing confinement.
We present results of molecular dynamics simulations performed on a Lennard-Jones liquid binary mixture confined in matrices of soft spheres at increasing packing fraction. We study the dynamical properties of the liquid at a given density upon supercooling. Our aim is to test the validity of the mode coupling theory in predicting the behaviour of the glass forming liquid when it is under confi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2003
ISSN: 0953-8984
DOI: 10.1088/0953-8984/15/11/340