Traveling through potential energy landscapes of disordered materials: The activation-relaxation technique
@article{Mousseau1998TravelingTP, title={Traveling through potential energy landscapes of disordered materials: The activation-relaxation technique}, author={Normand Mousseau and Gerard T. Barkema}, journal={Physical Review E}, year={1998}, volume={57}, pages={2419-2424} }
A detailed description of the activation-relaxation technique (ART) is presented. This method defines events in the configurational energy landscape of disordered materials such as amorphous semiconductors, glasses and polymers, in a two-step process: first, a configuration is activated from a local minimum to a nearby saddle point; next, the configuration is relaxed to a new minimum; this allows for jumps over energy barriers much higher than what can be reached with standard techniques. Such…
197 Citations
The activation–relaxation technique: an efficient algorithm for sampling energy landscapes
- Materials Science
- 2001
Energy landscape of relaxed amorphous silicon
- Materials Science
- 2003
We analyze the structure of the energy landscape of a well-relaxed 1000-atom model of amorphous silicon using the activation-relaxation technique ! ART nouveau" . Generating more than 40000 events…
Characterization of the Activation-Relaxation Technique: Recent Results on Models of Amorphous Silicon
- Materials Science
- 2001
The activation-relaxation technique (ART) is a method for finding saddle points in high-dimensional energy landscapes. ART has already been applied to a wide range of materials including amorphous…
Elementary mechanisms governing the dynamics of silica
- Materials Science
- 1999
A full understanding of glasses requires an accurate atomistic picture of the complex activated processes that constitute the low-temperature dynamics of these materials. To this end, we generate…
Transitions between metastable states in silica clusters
- Physics
- 1999
Abstract Relaxation phenomena in glasses can be related to jump processes between different minima of the potential energy in the configuration space. These transitions play a key role in the low…
Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations
- Materials Science
- 2004
We report a first-principles study of vacancy-induced self-diffusion in crystalline silicon. Starting from a fully relaxed configuration with a neutral vacancy, we proceed to search for local…
Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces.
- Computer ScienceThe Journal of chemical physics
- 2009
The activation-relaxation technique nouveau is an eigenvector following method for systematic search of saddle points and transition pathways on a given potential energy surface. We propose a…
Optimized energy landscape exploration using the ab initio based activation-relaxation technique.
- Materials ScienceThe Journal of chemical physics
- 2011
The activation-relaxation technique (ART nouveau) is revisited and a two-step convergence to the saddle point is introduced, combining the previously used Lanczós algorithm with the direct inversion in interactive subspace scheme.
Basic mechanisms of structural relaxation and diffusion in amorphous silicon
- Materials Science
- 2001
The low-temperature dynamics in amorphous silicon occurs through a sequence of discrete, activated events that reorganize the topology of the network. In this review, we present some recent work done…
Sampling activated mechanisms in proteins with the activation-relaxation technique.
- ChemistryJournal of molecular graphics & modelling
- 2001