English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

A free energy functional for a crystal proposed by Singh and Singh(Europhysics Letters \textbf{88}, 16005 (2009)) which contains both thesymmetry-conserved and symmetry-broken parts of the direct pair correlationfunction has been used to investigate the fluid-solid transition in systemsinteracting via purely repulsive WCA Lennard - Jones (RLJ) potential and thefull Lennard - Jones (LJ) potential. The results found for freezing parametersfor the fluid - face centred cubic (fcc) crystal transition are in very goodagreement with simulation results. It is shown that although the contributionmade by the symmetry broken part to the grand thermodynamic potential at thefreezing point is small compared to that of the symmetry conserving part, itsrole is crucial in stabilizing the crystalline structure and on values offreezing parameters. The effect of attractive part of the LJ potential on thefreezing parameters is found to be small, confirming the view that the fluid -solid transition is primarily determined by the repulsive part of thepotential.

Fluid - solid transition in simple systems using density functional theory