Naslov
Quantum Monte Carlo simulation of spin-polarised tritium

Autori
Bešlić, Ivana ; Vranješ Markić, Leandra ; Boronat, Jordi

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Quantum fluids and solids (QFS 2009) / - Evanston (IL), 2009, 238-238

Skup
QFS2009 International Symposium on Quantum Fluids and Solids

Mjesto i datum
Evanston (IL), Sjedinjene Američke Države, 05.08.2009. - 11.08.2009

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
spin-polarized tritium; diffusion Monte Carlo; energy; phase transition; liquid; solid

Sažetak
In the present work we report energetic and structural properties of spin-polarised bulk tritium (spT) at zero temperature. Our theoretical study has been performed with the variational and diffusion Monte Carlo methods, using an accurate ab initio interatomic potential. The liquid phase has been studied from the spinodal point up to densities above its freezing point. The equilibrium density of the liquid is significantly higher and the equilibrium energy of −3.664(6)K significantly lower than in previous approximate descriptions. The solid phase has also been studied for three lattices up to high pressures, and we find that hcp lattice is slightly preferred. The liquid-solid phase transition has been determined using the double-tangent Maxwell construction. At zero temperature, the transition occurs at a pressure of P=9(1) bar.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA