scholarly journals Topologically correct phase boundaries and transition temperatures for Ising Hamiltonians via self-consistent coarse-grained cluster-lattice models

2011 ◽  
Vol 83 (14) ◽  
Author(s):  
Teck L. Tan ◽  
D. D. Johnson
Keyword(s):  
Lattice Models ◽  
Coarse Grained ◽  
Transition Temperatures ◽  
Phase Boundaries ◽  
Self Consistent

scholarly journals Multicanonical study of coarse-grained off-lattice models for folding heteropolymers

2005 ◽  
Vol 71 (3) ◽  
Author(s):  
Michael Bachmann ◽  
Handan Arkın ◽  
Wolfhard Janke
Keyword(s):  
Lattice Models ◽  
Coarse Grained

A Parallel Algorithm for Conserving Approximation of Lattice Models Having Both Interactions and Disorder

2001 ◽  
Vol 15 (24n25) ◽  
pp. 3270-3278
Author(s):  
B. Buhrow ◽  
J. J. Deisz
Keyword(s):  
Perturbation Theory ◽  
Hubbard Model ◽  
Specific Heat ◽  
Parallel Algorithm ◽  
Lattice Models ◽  
Numerical Calculations ◽  
Self Consistent ◽  
Attractive Hubbard Model ◽  
Local Pairing ◽  
Diagonal Disorder

We present a parallel algorithm for numerical calculations for electronic lattice models with interactions and disorder. In this scheme, diagonal and off-diagonal disorder are treated exactly per disorder configuration and interaction effects are evaluated using conserving approximations based on self-consistent perturbation theory. We demonstrate this method by calculating second-order corrections to the local pairing amplitude and specific heat for the attractive Hubbard model.

scholarly journals Dual responsive PMEEECL–PAE block copolymers: a computational self-assembly and doxorubicin uptake study

RSC Advances ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 3233-3245 ◽  
Author(s):  
Amin Koochaki ◽  
Mohammad Reza Moghbeli ◽  
Sousa Javan Nikkhah ◽  
Alessandro Ianiro ◽  
Remco Tuinier
Keyword(s):  
Block Copolymers ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Dual Responsive ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
Dynamics Simulations

The self-assembly behaviour of dual-responsive block copolymers and their ability to solubilize the drug doxorubicin is demonstrated using molecular dynamics simulations, coarse-grained force field simulations and self-consistent field theory.

Phase diagrams of diblock copolymers in electric fields: a self-consistent field theory study

2016 ◽  
Vol 18 (15) ◽  
pp. 10309-10319 ◽  
Author(s):  
Ji Wu ◽  
Xianghong Wang ◽  
Yongyun Ji ◽  
Linli He ◽  
Shiben Li
Keyword(s):  
Field Theory ◽  
Phase Diagrams ◽  
Electric Fields ◽  
Diblock Copolymers ◽  
Phase Boundaries ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory ◽  
And Shifts

The electric field induces the new phases and shifts the phase boundaries in phase diagrams for the diblock copolymers.

scholarly journals Characterizing the Liquid-liquid Phase Co-existence in Biomembrane: Insights from Local Non-affine Deformation and Topological Rearrangements

2017 ◽  
Author(s):  
Sahithya S. Iyer ◽  
Madhusmita Tripathy ◽  
Anand Srivastava
Keyword(s):  
Liquid Phase ◽  
Lipid Bilayers ◽  
Coarse Grained ◽  
Phase Boundaries ◽  
Dynamical Heterogeneity ◽  
Domain Boundaries ◽  
Liquid Ordered ◽  
Affine Deformation ◽  
Molecular Origin ◽  
Lateral Heterogeneities

AbstractLateral heterogeneities in bio-membranes play a crucial role in various physiological functions of the cell. Such heterogeneities lead to demixing of lipid constituents and formation of distinct liquid domains in the membrane. We study lateral heterogeneities in terms of the topological rearrangements of lipids, to identify liquid-liquid phase co-existence in model membranes. By quantifying the degree of non-affineness associated with individual lipid, we are able to characterize the liquid ordered (Lo) and liquid disordered (Ld) phases in model lipid bilayers, without any prior knowledge on chemical identity of the lipids. We explore the usage of this method on all atom and coarse-grained lipid bilayer trajectories. This method is helpful in defining the instantaneous Lo-Ld domain boundaries in complex multi-component bilayer systems. The characterization can also highlight the effect of line-active molecules on the phase boundaries and domain mixing. Overall, we propose a framework to explore the molecular origin of spatial and dynamical heterogeneity in bio-membranes systems, which can not only be exploited in computer simulation, but also in experiments.

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