2004 |
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Sob, M., Friak, M., Legut, D., Fiala, J., Vitek, V.
The role of ab initio electronic structure calculations in studies of the strength of materials
to be published in Materials Science and Engineering A, 2004
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Nguyen-Manh, D., Dudarev, S.L., Pettifor, D.G., Gröger, R. and Vitek, V.
Tight-binding models for fusion reactor materials based on non-magnetic and magnetic
bcc transition metals
to be published in Philosophical Magazine, 2004
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Nguyen-Manh, D., Cawkwell, M.J., Gröger, R., Mrovec, M., Porizek, R., Pettifor, D.G.,
Vitek, V.
Dislocations in materials with mixed covalent and metallic bonding
submitted for publication in Materials Science and Engineering A, 2004
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Gröger, R., Vitek, V.
Breakdown of the Schmid law in bcc molybdenum related to the effect
of shear stress perpendicular to the slip direction
to be published in Mat. Sci. Forum, 2004
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Vitek, V., Mrovec, M., Gröger, R., Bassani, J.L., Racherla, V., Yin, L.
Effects of non-glide stresses on the plastic flow of single and
polycrystals of molybdenum
to be published Mat. Sci. Eng. A, 2004
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Vitek, V.
Core structure of screw dislocations in body-centred cubic metals:
relation to symmetry and interatomic bonding
Phil. Mag. 84 (3-5), pp.415-428, 2004
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Vitek, V., Mrovec, M., Bassani, J.L.
Influence of non-glide stresses on plastic flow: from atomistic to
continuum modeling
Mat. Sci. Eng. A 365 (1-2), pp.31-37, 2004
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Mrovec, M., Nguyen-Manh, D., Pettifor, D.G., Vitek, V.
Bond-order potential for molybdenum: Application to dislocation
behavior
Phys. Rev. B 69 (9), 2004
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2003 |
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Cawkwell, M.J., Nguyen-Manh, D., Vitek, V. and Pettifor, D.G. A
combined ab initio and bond-order potentials study of cohesion in
iridium in Multiscale Phenomena in Materials - Experiments and
Modeling Related to Mechanical Behavior, edited by H. M. Zbib,
D. H. Lassila, L. E. Levine, K. J. Hemker, MRS Symposium
Proceedings, 779, p. W5.5.1, 2003
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Porizek, R., Znam, S., Nguyen-Manh, D., Vitek, V. and Pettifor, D.G.
Atomistic studies of dislocation glide in γ-TiAl in Defect
Properties and Related Phenomena in Intermetallic Alloys, edited by
E. P. George, H. Inui, M., 2003
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Anongba, P.N.B., Vitek, V.
Significance of the deviations of the crack front into the plane
perpendicular to the crack propagation direction - I. Crack-front
dislocation generation
Int. J. of Fracture, 124 (1-2), pp.1-15, 2003
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Friak, M., Sob, M., Vitek, V.
Ab initio calculation of tensile strength in iron
Phil. Mag. 83 (31-34), pp.3529-3537, 2003
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Friak, M., Sob, M., Vitek, V.
Ab initio study of the ideal tensile strength and mechanical
stability of transition-metal disilicides
Phys. Rev. B 68 (18), 2003
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Mrovec, M., Ochs, T., Elsasser, C., Vitek, V., Nguyen-Manh, D.,
Pettifor, D.G.
Never ending saga of a simple boundary
Zeitschrift fur Metallkunde 94 (3), pp.244-249, 2003
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Znam, S., Nguyen-Manh, D., Pettifor, D.G., Vitek, V.
Atomistic modelling of TiAl - I. Bond-order potentials with
environmental dependence
Phil. Mag. 83 (4), pp.415-438, 2003
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Nguyen-Manh, D., Pettifor, D.G., Cockayne, D.J.H., Mrovec, M.,
Znam, S., Vitek, V.
Environmentally dependent bond-order potentials: New developments
and applications
Bulletin of Mat. Sci., 26 (1), pp.43-51, 2003
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Nomura, M., Vitek, V.
An atomistic study of interfacial diffusion in lamellar TiAl alloys
Interface Science, 11 (1), pp.99-109, 2003
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2002 |
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Paidar, V. and Vitek, V. Stacking fault-type interfaces and their
role in deformation in Intermetallic Compouds: Principles and
Practice, 3, edited by J. H. Westbrook and
R. L. Fleisher, John Wiley, New York, pp. 437-467, 2002 (review
article)
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Duesbery. M.S., Vitek, V. and Cserti, J. Non-Schmid plastic
behaviour in bcc metals and alloys in Understanding Materials: A
Festschrift for Sir Peter Hirsch, edited by C. J. Humphreys, The
Institute of Materials, London, p. 165, 2002
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Bacon, D.J., Vitek, V.
Atomic-scale modeling of dislocations and related properties in the
hexagonal-close-packed metals
Metall. and Mater. Trans. A 33 (3), pp.721-733, 2002
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Moriarty, J.A., Vitek, V., Bulatov, V.V., Yip, S.
Atomistic simulations of dislocations and defects
J. Comp.-Aided Mat. Design 9 (2), pp.99-132, 2002
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Pettifor, D.G., Oleinik, I.I., Nguyen-Manh, D., Vitek, V.
Bond-order potentials: bridging the electronic to atomistic
modelling hierarchies
Comp. Mat. Sci., 23 (1-4), pp.33-37, 2002
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2001 |
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Ito, V. and Vitek, V. Atomistic study of non-Schmid effects in
the plastic yielding of body-centred-cubic metals
Philos. Mag. A, 81, pp.1387-1407, 2001
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Mrovec, M., Nguyen-Manh, D., Pettifor, D.G. and Vitek, V.
Bond-order potentials with analytic environment-dependent
tight-binding integrals: Application to bcc molybdenum
in Multiscale Materials Modeling, edited by L. P. Kubin,
R. L. Selinger, J. L. Bassani and K. Cho, MRS Symposium Proceedings,
653, p. Z6.3, 2001
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Khantha, M., Vitek, V., Pope, D.P.
Strain-rate dependent mechanism of cooperative dislocation
generation: application to the brittle-ductile transition
Mat. Sci. Eng. A, 319, pp.484-489, 2001
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Bassani, J.L., Ito, K., Vitek, V.
Complex macroscopic plastic flow arising from non-planar dislocation
core structures
Mat. Sci. Eng. A 319, pp.97-101, 2001
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Friak, M., Sob, M., Vitek, V.
Ab initio calculation of phase boundaries in iron along the bcc-fcc
transformation path and magnetism of iron overlayers
Phys. Rev. B, 63 (5), 2001
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2000 |
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Nguyen-Manh, D., Pettifor, D.G., Vitek, V.
Analytic environment-dependent tight-binding bond integrals:
Application to MoSi2
Phys. Rev. Lett. 85 (19), pp.4136-4139, 2000
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Ochs, T., Elsasser, C., Mrovec, M., Vitek, V., Belak, J.,
Moriarty, J.A.
Symmetrical tilt grain boundaries in bcc transition metals:
comparison of semiempirical with ab-initio total-energy calculations
Phil. Mag. A, 80 (10), pp.2405-2423, 2000
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Fernandez, J.R., Monti, A.M., Pasianot, R.C., Vitek, V.
An atomistic study of formation and migration of vacancies in
(11-21) twin boundaries in Ti and Zr
Phil. Mag. A, 80 (6), pp.1349-1364, 2000
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