# Saddle-point energies and Monte Carlo simulation of the long-range order relaxation in CoPt

Source: [Saddle-point energies and Monte Carlo simulation of the long-range order relaxation in CoPt](<https://www.sota2.com/research/paper/68fa26e42c2a3760193be512>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T11:41:31.680Z

Authors: M. Allalen, H. Bouzar, T. Mehaddene

Published: 2005-04-20T13:08:42.000Z

## Abstract

We present atomic-scale computer simulations in equiatomic L1$\_0$-CoPt where Molecular Dynamics and Monte Carlo techniques have both been applied to study the vacancy-atom exchange and kinetics relaxation. The atomic potential is determined using a Tight-Binding formalism within the Second-Moment Approximation. It is used to evaluate the different saddle-point energies involved in a vacancy-atom exchange between nearest-neighbour sites. The potential and the saddle-point energies have been used to simulate the relaxation of the long-range order in CoPt using a Monte Carlo technique. A vacancy migration energy of $0.73\\pm 0.15 eV$ and an order-disorder transition temperature of 935 K have been found.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/0504504>)

[PDF](<https://arxiv.org/pdf/cond-mat/0504504.pdf>)