Refined kinetic transition networks for the GB1 hairpin peptide

2009 ◽  
Vol 11 (18) ◽  
pp. 3341 ◽  
Author(s):  
Joanne M. Carr ◽  
David J. Wales
2014 ◽  
Vol 141 (4) ◽  
pp. 041104 ◽  
Author(s):  
Jacob D. Stevenson ◽  
David J. Wales

2017 ◽  
Vol 19 (37) ◽  
pp. 25498-25508 ◽  
Author(s):  
John W. R. Morgan ◽  
Dhagash Mehta ◽  
David J. Wales

Small-world and scale-free properties are analysed for kinetic transition networks of clusters and glassy systems.


2016 ◽  
Vol 117 (2) ◽  
Author(s):  
Dhagash Mehta ◽  
Jianxu Chen ◽  
Danny Z. Chen ◽  
Halim Kusumaatmaja ◽  
David J. Wales

2019 ◽  
Vol 151 (12) ◽  
pp. 124101 ◽  
Author(s):  
Daniel J. Sharpe ◽  
David J. Wales

2021 ◽  
Vol 388 ◽  
pp. 113268
Author(s):  
Dmitry I. Iudin ◽  
Fedor D. Iudin ◽  
Artem A. Syssoev ◽  
Vitaly Yu. Klimashov ◽  
Alexey A. Emelyanov

Author(s):  
P. K. Galenko ◽  
I. G. Nizovtseva ◽  
K. Reuther ◽  
M. Rettenmayr

Phase-field analysis for the kinetic transition in an ordered crystal structure growing from an undercooled liquid is carried out. The results are interpreted on the basis of analytical and numerical solutions of equations describing the dynamics of the phase field, the long-range order parameter as well as the atomic diffusion within the crystal/liquid interface and in the bulk crystal. As an example, the growth of a binary A 50 B 50 crystal is described, and critical undercoolings at characteristic changes of growth velocity and the long-range order parameter are defined. For rapidly growing crystals, analogies and qualitative differences are found in comparison with known non-equilibrium effects, particularly solute trapping and disorder trapping. The results and model predictions are compared qualitatively with results of the theory of kinetic phase transitions (Chernov 1968 Sov. Phys. JETP 26 , 1182–1190) and with experimental data obtained for rapid dendritic solidification of congruently melting alloy with order–disorder transition (Hartmann et al. 2009 Europhys. Lett. 87 , 40007 ( doi:10.1209/0295-5075/87/40007 )). This article is part of the theme issue ‘From atomistic interfaces to dendritic patterns’.


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