Copper precipitation in iron: a comparison between metropolis Monte Carlo and lattice kinetic Monte Carlo methods

2003 ◽  
Vol 202 ◽  
pp. 68-75 ◽  
Author(s):  
O. Khrushcheva ◽  
E.E. Zhurkin ◽  
L. Malerba ◽  
C.S. Becquart ◽  
C. Domain ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo ◽  
Copper Precipitation ◽  
Metropolis Monte Carlo

Off-Lattice Kinetic Monte Carlo Methods

2018 ◽  
pp. 1-29
Author(s):  
Mickaël Trochet ◽  
Normand Mousseau ◽  
Laurent Karim Béland ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo

scholarly journals Growth and arrest of topological cycles in small physical networks

2020 ◽  
Vol 117 (27) ◽  
pp. 15394-15396
Author(s):  
Timothy W. Sirk
Keyword(s):  
Monte Carlo ◽  
Random Graphs ◽  
Kinetic Monte Carlo ◽  
Polymer Networks ◽  
Finite Size ◽  
Characteristic Size ◽  
Network Size ◽  
Embedded Networks ◽  
Metropolis Monte Carlo ◽  
Chordless Cycle

The chordless cycle sizes of spatially embedded networks are demonstrated to follow an exponential growth law similar to random graphs if the number of nodesNxis below a critical valueN*. For covalent polymer networks, increasing the network size, as measured by the number of cross-link nodes, beyondN*results in a crossover to a new regime in which the characteristic size of the chordless cyclesh*no longer increases. From this result, the onset and intensity of finite-size effects can be predicted from measurement ofh*in large networks. Although such information is largely inaccessible with experiments, the agreement of simulation results from molecular dynamics, Metropolis Monte Carlo, and kinetic Monte Carlo suggests the crossover is a fundamental physical feature which is insensitive to the details of the network generation. These results show random graphs as a promising model to capture structural differences in confined physical networks.

Nucleation and Growth of Defects in He irradiated Fe using Rate Theory and Kinetic Monte Carlo Methods

2005 ◽  
Vol 908 ◽  
Author(s):  
Christophe Juan Ortiz ◽  
Maria Jose Caturla ◽  
Chu Chun Fu ◽  
Francois Willaime
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Formation Energy ◽  
Kinetic Monte Carlo ◽  
Nucleation And Growth ◽  
Rate Theory ◽  
Migration Energy ◽  
Single Vacancy ◽  
Dissociative Mechanism

AbstractHe desorption in Fe was studied using rate theory and kinetic Monte Carlo models. A good fit to experimental observations was obtained with a migration energy of 1.1 eV and a formation energy of 1.6 eV for the single vacancy. These results could be explained by the presence of traps/impurities in experiments. Simulations show that the release of He during annealing is mainly due to the dissociative mechanism (Frank-Turnbull) and the release of Hei from He-V clusters.

Off-Lattice Kinetic Monte Carlo Methods

2020 ◽  
pp. 715-743
Author(s):  
Mickaël Trochet ◽  
Normand Mousseau ◽  
Laurent Karim Béland ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Methods ◽  
Kinetic Monte Carlo
Sign in / Sign up

Export Citation Format

Share Document