Elucidating energy scaling between atomic and molecular adsorbates in the presence of solvent

AIChE Journal ◽  
2020 ◽  
Vol 66 (12) ◽  
Author(s):  
Jaeryul Park ◽  
Luke T. Roling
Nano Letters ◽  
2011 ◽  
Vol 11 (7) ◽  
pp. 2720-2724 ◽  
Author(s):  
Heiko Gawronski ◽  
Jonas Fransson ◽  
Karina Morgenstern

2021 ◽  
Author(s):  
Martin Kaumanns ◽  
Dmitrii Kormin ◽  
Thomas Nubbemeyer ◽  
Vladimir Pervak ◽  
Stefan Karsch

2017 ◽  
Vol 147 (5) ◽  
pp. 1041-1089 ◽  
Author(s):  
Georgy Kitavtsev ◽  
Stephan Luckhaus ◽  
Angkana Rüland

In this paper we are interested in the microscopic modelling of a two-dimensional two-well problem that arises from the square-to-rectangular transformation in (two-dimensional) shape-memory materials. In this discrete set-up, we focus on the surface energy scaling regime and further analyse the Hamiltonian that was introduced by Kitavtsev et al. in 2015. It turns out that this class of Hamiltonians allows for a direct control of the discrete second-order gradients and for a one-sided comparison with a two-dimensional spin system. Using this and relying on the ideas of Conti and Schweizer, which were developed for a continuous analogue of the model under consideration, we derive a (first-order) continuum limit. This shows the emergence of surface energy in the form of a sharp-interface limiting model as well the explicit structure of the minimizers to the latter.


1990 ◽  
Vol 94 (11) ◽  
pp. 4655-4660 ◽  
Author(s):  
S. M. Lindsay ◽  
O. F. Sankey ◽  
Y. Li ◽  
C. Herbst ◽  
A. Rupprecht

2017 ◽  
Vol 49 (1) ◽  
pp. 311-359 ◽  
Author(s):  
Alessio Brancolini ◽  
Benedikt Wirth

Sign in / Sign up

Export Citation Format

Share Document