Zobrazeno 1 - 10
of 833
pro vyhledávání: '"Geng, H. Y."'
Publikováno v:
Phys. Rev. B 70(9), 094203 (2004)
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temperature EOSs of Ni-Al alloys on FCC and BCC lattices are obtained with d
Externí odkaz:
http://arxiv.org/abs/1203.0622
Publikováno v:
Phys. Rev. B 72, 014204 (2005)
Order-disorder effects on equation of state (EOS) properties of substitutional binary alloys are investigated with the cluster variation method (CVM) based on ab initio effective cluster interactions (ECI). Calculations are applied to the fcc based N
Externí odkaz:
http://arxiv.org/abs/1203.0646
Publikováno v:
J. Chem. Phys. 122, 214706 (2005)
The cluster expansion method is applied to electronic excitations and a set of effective cluster density of states (ECDOS) are defined, analogous to effective cluster interactions (ECI). The ECDOS are used to generate alloy thermodynamic properties a
Externí odkaz:
http://arxiv.org/abs/1203.0647
Publikováno v:
Phys. Rev. B 73, 012202 (2006)
A model is constructed in which pair potentials are combined with the cluster expansion method in order to better describe the energetics of structurally relaxed substitutional alloys. The effect of structural relaxations away from the ideal crystal
Externí odkaz:
http://arxiv.org/abs/1203.0626
Publikováno v:
Phys. Rev. B 71(1), 012105 (2005)
The Hugoniot of Ni3Al with L12 structure is calculated with an equation of state (EOS) based on a cluster expansion and variation method from first principles. It is found that an order-disorder transition occurs at a shock pressure of 205GPa, corres
Externí odkaz:
http://arxiv.org/abs/1203.0624
Publikováno v:
Journal of Applied Physics 92 (10): 5917-5923 (2002)
In order to verify and validate the newly developed thermoelectron equation of state (EOS) model that is based on the Wu-Jing (W-J) EOS, calculations of shock compression behavior have been made on five different porous metals-iron, copper, lead, tun
Externí odkaz:
http://arxiv.org/abs/1203.0619
Publikováno v:
Journal of Applied Physics 92 (10): 5924-5929 (2002)
A thermodynamic equation of state (EOS) for thermoelectrons is derived which is appropriate for investigating the thermodynamic variations along isobaric paths. By using this EOS and the Wu-Jing (W-J) model, an extended Hugoniot EOS model is develope
Externí odkaz:
http://arxiv.org/abs/1203.0614
Publikováno v:
Journal of Alloys and Compounds 457, 465 (2008)
Interatomic potentials of uranium dioxide are investigated on their applicability to model structural stabilities beyond fluorite phase by comparing with ab-initio results. A high pressure cotunnite phase and loosely stacking virtual crystal are invo
Externí odkaz:
http://arxiv.org/abs/cond-mat/0703657
Publikováno v:
PHYSICAL REVIEW B 75, 054111 (2007)
The structural behavior of UO2 under high pressure up to 300GPa has been studied by first-principles calculations with LSDA+U approximation. The results show that a pressure-induced structural transition to the cotunnite-type (orthorhombic Pnma) phas
Externí odkaz:
http://arxiv.org/abs/cond-mat/0703656
Autor:
Geng, H. Y.
A space-time symmetric and explicitly Lorentz covariant path integral formalism of relativistic quantum mechanics is proposed, which produces partial locally correlations of quantum processes of massive particles with the velocity of light at low ene
Externí odkaz:
http://arxiv.org/abs/quant-ph/0703201