Self-consistent statistical thermodynamics of a anharmonic one-dimensional crystal surface under pressure

2021 ◽  
pp. 126115
Author(s):  
Rodrigo S. Amorim ◽  
Cláudio J. DaSilva ◽  
J.N. Teixeira Rabelo
Keyword(s):  
Crystal Surface ◽  
Statistical Thermodynamics ◽  
One Dimensional ◽  
Self Consistent ◽  
Dimensional Crystal

scholarly journals RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases

Computation ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 57
Author(s):  
Constantinos J. Revelas ◽  
Aristotelis P. Sgouros ◽  
Apostolos T. Lakkas ◽  
Doros N. Theodorou
Keyword(s):  
Field Theory ◽  
Polymer Melt ◽  
Polymer Chains ◽  
Solid Polymer ◽  
One Dimensional ◽  
Consistent Field ◽  
Adsorbed Polymer ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Self Consistent Field Theory

In this article, we publish the one-dimensional version of our in-house code, RuSseL, which has been developed to address polymeric interfaces through Self-Consistent Field calculations. RuSseL can be used for a wide variety of systems in planar and spherical geometries, such as free films, cavities, adsorbed polymer films, polymer-grafted surfaces, and nanoparticles in melt and vacuum phases. The code includes a wide variety of functional potentials for the description of solid–polymer interactions, allowing the user to tune the density profiles and the degree of wetting by the polymer melt. Based on the solution of the Edwards diffusion equation, the equilibrium structural properties and thermodynamics of polymer melts in contact with solid or gas surfaces can be described. We have extended the formulation of Schmid to investigate systems comprising polymer chains, which are chemically grafted on the solid surfaces. We present important details concerning the iterative scheme required to equilibrate the self-consistent field and provide a thorough description of the code. This article will serve as a technical reference for our works addressing one-dimensional polymer interphases with Self-Consistent Field theory. It has been prepared as a guide to anyone who wishes to reproduce our calculations. To this end, we discuss the current possibilities of the code, its performance, and some thoughts for future extensions.

Surface states of a deformed one-dimensional crystal

Physica ◽  
1966 ◽  
Vol 32 (7) ◽  
pp. 1274-1282 ◽  
Author(s):  
Maria Stȩślicka ◽  
K.F. Wojciechowski
Keyword(s):  
Surface States ◽  
One Dimensional ◽  
Dimensional Crystal

Spin-Wave Spectrum in the Sinusoidal Superlattice with Amplitude and Phase Inhomogeneities

2014 ◽  
Vol 215 ◽  
pp. 385-388
Author(s):  
Valter A. Ignatchenko ◽  
Denis S. Tsikalov
Keyword(s):  
Spin Wave ◽  
Density Of States ◽  
Wave Spectrum ◽  
The Self ◽  
One Dimensional ◽  
Consistent Approximation ◽  
Self Consistent ◽  
Greens Function ◽  
The One ◽  
Spin Wave Spectrum

Effects of both the phase and the amplitude inhomogeneities of different dimensionalities on the Greens function and on the one-dimensional density of states of spin waves in the sinusoidal superlattice have been studied. Processes of multiple scattering of waves from inhomogeneities have been taken into account in the self-consistent approximation.

One-Dimensional Growth of Li2NiPO4F Single Crystals from Intermediate LiNiPO4 Crystal Surface Using KCl–KI Fluxes

2018 ◽  
Vol 18 (11) ◽  
pp. 6777-6785 ◽  
Author(s):  
Tetsuya Yamada ◽  
Nobuyuki Zettsu ◽  
Hye-min Kim ◽  
Yuta Hagano ◽  
Nobuyuki Handa ◽  
...  
Keyword(s):  
Single Crystals ◽  
Crystal Surface ◽  
One Dimensional ◽  
Dimensional Growth

scholarly journals Josephson oscillations in split one-dimensional Bose gases

2021 ◽  
Vol 10 (4) ◽  
Author(s):  
Yuri Daniel van Nieuwkerk ◽  
Jörg Schmiedmayer ◽  
Fabian Essler
Keyword(s):  
Three Dimensional ◽  
Time Dependent ◽  
Dimensional Theory ◽  
Bose Gases ◽  
Microscopic Description ◽  
One Dimensional ◽  
Hartree Fock ◽  
Equilibrium Dynamics ◽  
Self Consistent ◽  
Double Well Potential

We consider the non-equilibrium dynamics of a weakly interacting Bose gas tightly confined to a highly elongated double well potential. We use a self-consistent time-dependent Hartree--Fock approximation in combination with a projection of the full three-dimensional theory to several coupled one-dimensional channels. This allows us to model the time-dependent splitting and phase imprinting of a gas initially confined to a single quasi one-dimensional potential well and obtain a microscopic description of the ensuing damped Josephson oscillations.

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