Zobrazeno 1 - 10
of 191
pro vyhledávání: '"Hepburn, D. A."'
We present a comprehensive set of first principles electronic structure calculations to study transition metal solutes and their interactions with point defects in austenite. Clear trends were observed across the series. Solute-defect interactions we
Externí odkaz:
http://arxiv.org/abs/1407.7996
ODS steels based on yttrium oxide have been suggested as potential fusion reactor wall materials due to their observed radiation resistance properties. Presumably this radiation resistance can be related to the interaction of the particle with vacanc
Externí odkaz:
http://arxiv.org/abs/1310.2061
An extensive set of first-principles density functional theory calculations have been performed to study the behaviour of He, C and N solutes in austenite, dilute Fe-Cr-Ni austenitic alloys and Ni in order to investigate their influence on the micros
Externí odkaz:
http://arxiv.org/abs/1301.5317
Publikováno v:
Phys. Rev. B85, 174111 (2012)
We present results of an extensive set of first-principles density functional theory calculations of point defect formation, binding and clustering energies in austenitic Fe with dilute concentrations of Cr and Ni solutes.
Comment: 24 pages, 10
Comment: 24 pages, 10
Externí odkaz:
http://arxiv.org/abs/1107.0260
First principles calculations have given a new insight into the energies of point defects in many different materials, information which cannot be readily obtained from experiment. Most such calculation are done at zero Kelvin, with the assumption th
Externí odkaz:
http://arxiv.org/abs/1105.2663
Publikováno v:
Phil.Mag 89 34-36 3393 (2009)
We present empirical potentials for dilute transition metal solutes in a-iron. It is in the Finnis-Sinclair form and is therefore suitable for billion atom molecular dynamics simulations. First principles calculation shows that there are clear trends
Externí odkaz:
http://arxiv.org/abs/1008.0508
}We present a formalism for extending the second moment tight-binding model, incorporating ferro- and anti-ferromagn etic interaction terms which are needed for the FeCr system. For antiferromagnetic and paramagnetic materials, an explicit additional
Externí odkaz:
http://arxiv.org/abs/0912.3439
Publikováno v:
Phys.Rev.D70:014501,2004
We present results from simulations using 2 flavours of O(a)-improved Wilson quarks whose masses are about 1/3 of the physical strange quark mass. We present new data on the mass of the singlet pseudoscalar meson and evidence of the onset of chiral l
Externí odkaz:
http://arxiv.org/abs/hep-lat/0403007
Autor:
Hepburn, D. J., Collaboration, UKQCD
I present preliminary results on the light quark masses from a partially quenched analysis of UKQCD's dynamical datasets.
Comment: Lattice2002(spectrum), 3 pages, 3 figures, Edinburgh preprint 2002/13
Comment: Lattice2002(spectrum), 3 pages, 3 figures, Edinburgh preprint 2002/13
Externí odkaz:
http://arxiv.org/abs/hep-lat/0209036
Publikováno v:
Nucl.Phys.Proc.Suppl.106:293-295,2002
We evaluate the matrix element of $\bar{q} q$ in hadron states on a lattice. We find substantial mixing of the connected and disconnected contributions so that the lattice result that the disconnected contribution to the nucleon is large does not imp
Externí odkaz:
http://arxiv.org/abs/hep-lat/0109028