Tensor renormalization group study of orientational ordering in simple models of adsorption monolayers

VA Gorbunov, AI Uliankina, SS Akimenko… - Physical Review E, 2023 - APS
A simple lattice model of the orientational ordering in organic adsorption layers that
considers the directionality of intermolecular interactions is proposed. The symmetry and the …

Freezing phase transition in hard-core lattice gases on the triangular lattice with exclusion up to seventh next-nearest neighbor

AAA Jaleel, D Mandal, JE Thomas, R Rajesh - Physical Review E, 2022 - APS
Hard-core lattice-gas models are minimal models to study entropy-driven phase transitions.
In the k-nearest-neighbor lattice gas, a particle excludes all sites up to the k th next-nearest …

Homologous series of flower phases in metal–organic networks on Au (111) surface

AI Fadeeva, VA Gorbunov, OS Solovyeva… - The Journal of …, 2020 - ACS Publications
Supramolecular coordination self-assembly on the solid surface offers great possibilities for
creating nanostructures and thin films with unique physicochemical properties. In this work …

Entropy of fully packed hard rigid rods on -dimensional hypercubic lattices

D Dhar, R Rajesh - Physical Review E, 2021 - APS
We determine the asymptotic behavior of the entropy of full coverings of a L× M square
lattice by rods of size k× 1 and 1× k, in the limit of large k. We show that full coverage is …

Phase transitions in hard-core lattice gases on the honeycomb lattice

FC Thewes, HCM Fernandes - Physical Review E, 2020 - APS
We study lattice gas systems on the honeycomb lattice where particles exclude neighboring
sites up to order k (k= 1,..., 5) from being occupied by another particle. Monte Carlo …

Rejection-free cluster Wang-Landau algorithm for hard-core lattice gases

AAA Jaleel, JE Thomas, D Mandal, Sumedha… - Physical Review E, 2021 - APS
We introduce a rejection-free, flat histogram, cluster algorithm to determine the density of
states of hard-core lattice gases. We show that the algorithm is able to efficiently sample low …

Triangles on a triangular lattice: Insights into self-assembly in two dimensions driven by shape complementarity

SS Akimenko, AV Myshlyavtsev, MD Myshlyavtseva… - Physical Review E, 2022 - APS
A series of models for reversible filling of a triangular lattice with equilateral triangles has
been developed and investigated. There are eight distinct models that vary in the set of …

Tensor network construction for lattice gas models: Hard-core and triangular lattice models

SS Akimenko - Physical Review E, 2023 - APS
The representation of complex lattice models in the form of a tensor network is a promising
approach to the analysis of the thermodynamics of such systems. Once the tensor network is …

SuSMoST: Surface Science Modeling and Simulation Toolkit

SS Akimenko, GD Anisimova… - Journal of …, 2020 - Wiley Online Library
We present to the scientific community the Surface Science Modeling and Simulation Toolkit
(SuSMoST), which includes a number of utilities and implementations of statistical physics …

Hard core lattice gas with third next-nearest neighbor exclusion on triangular lattice: One or two phase transitions?

AAA Jaleel, D Mandal, R Rajesh - The Journal of Chemical Physics, 2021 - pubs.aip.org
We obtain the phase diagram of the hard core lattice gas with third nearest neighbor
exclusion on the triangular lattice using Monte Carlo simulations that are based on a …