Computational study of lattice dynamics and thermodynamic properties of energetic solid cyanuric triazide
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2020.109782
Abstract: Abstract The structural, vibrational and thermodynamic properties of the cyanuric triazide crystal is investigated through density functional theory (DFT) simulations within the dispersion corrected generalized gradient approximation (GGA + G06) by considering the norm conserving… read more here.
Keywords: cyanuric triazide; dynamics thermodynamic; study lattice; thermodynamic properties ... See more keywords
Wang-Landau study of lattice gases on geodesic grids.
Sign Up to like & getrecommendations! Published in 2025 at "Physical review. E"
DOI: 10.1103/bnyl-k1mt
Abstract: We study a family of lattice-gas systems defined on semiregular grids, obtained by projecting the vertices of three different geodesic icosahedra onto a spherical surface. By using couplings up to third neighbors, we explore various… read more here.
Keywords: landau study; wang landau; lattice gases; study lattice ... See more keywords