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Senior Research Scientist at Culham Centre for Fusion Energy (CCFE), Principal Investigator, European Fusion Development Agreement (EFDA) Materials Group

1. Multiscale modeling for fusion and fission nuclear materials. 
2. Ab-initio modelling of radiated-induced defect structures in metals and alloys. 
3. Development of tight-binding based magnetic interatomic potentials for modeling dislocation properties of ferritic/martensitic steels in fusion material applications.
4. Development of magnetic cluster expansion formalism for large scale Monte-Carlo simulations alloys and steels.
5. Origin of brittle-ductile transitions in metallic alloys from first-principles predictions.
6. Phase stability and kinetics of driven-alloy systems 

Magnetic tight-binding simulations of defects in iron alloys
P. Soin*, Dr. A.P. Horsfield*, Professor A.P. Sutton*, Dr. D. Nguyen-Manh**
Iron is a key element in the ferritic steels used in hydrogen fusion power plants. Since we are unable to observe directly the point defects generated by irradiation we use atomistic simulations. As empirical potentials do not give a proper description of the magnetic properties and DFT becomes too computationally expensive for large unit cells, we use a magnetic tight binding scheme. We extended an existing Stoner model that employed local charge neutrality to include both onsite and intersite Coulomb interactions. A new charge mixing scheme has been devised to stabilise and accelerate the convergence to self-consistency. We have carried out very well converged simulations using our parallelised code, PLATO. So far we have investigated vacancies and interstitials in ferritic iron. We observe the dependence of the local magnetic moment and charge transfer on the structure of the defects. We will apply the formalism for applications to line and planar defects (Funded by EPSRC and CCFE, *Imperial College London, **CCFE)

First-principles study of phase stabilities and radiation-induced defects in W-Ta and W-V alloys
M. Muzyk*, Professor K. Kurzydlowski*, Professor N. Baluc**, Professor S.L. Dudarev***, Dr. D. Nguyen-Manh***
The main motivation of this project is to use the first-principles modelling tool to address and to predict thermodynamic and kinetic evolutions under neutron irradiation in tungsten alloy materials important for future fusion power plant applications. We choose tungsten-tantalum and tungsten-vanadium alloys because they are candidate materials for DEMO divertor applications due to their high melting point and expected improved ductility and fracture toughness in comparison with pure W. The available experimental phase diagrams for W-Ta and W-V alloys describe the high temperature limit close to the melting point. These diagrams exhibit only the solid solution phases and show no ordered intermetallic phases that in principle should be expected to form at low temperatures (Supported by EURATOM/EFDA, *WUT, **EFPL, ***CCFE)

Magnetic origin of phase precipitations and kinetic phase transformations in irradiated Fe-Cr alloys from ab-initio modelling
Dr. M.Y. Lavrentiev*, Professor S.L. Dudarev*, Dr. D. Nguyen-Manh*
Developing predictive models for Fe-Cr -based ferritic/martensitic steels, which are candidate structural materials for fusion and advanced fission power generation, requires formulating controlled approximations and efficient algorithms for large-scale atomistic modeling. Understanding the stability and dynamics of Fe-Cr alloy system at high temperature under irradiation is a formidable challenge for computational materials science because magnetic fluctuations involving the constituent elements of the alloy result in complex point-defect behavior and phase transformations occurring in the high temperature limit. In this project, we investigate two approaches (many-body Stoner tight-binding Hamiltonian and Magnetic Cluster Expansion) based on first-principles spin-polarized density functional theory (DFT) calculations which address the frustrated magnetic behavior in this system (Supported by EURATOM/EFDA, *CCFE)

3 public active projects

2000-2010

Nguyen-Manh, D., Muzyk, M., Kurzydlowski, K.J., Baluc, N.L., Rieth, M., Dudarev, S.L. (2010). First-principles modeling of tungsten-based alloys for future power-plant applications, Key Engineering Materials

Nguyen-Manh, D., (2010).  Managing Guess-Editor, ACCMS-5 Proceedings, Computational Materials Science, 49, S157-S395

Castin, N., Bonny, G., Terentiev, D., Lavrentiev, M.Y., Nguyen-Manh, D. (2010). Modeling phase separation in Fe-Cr system using different atomistic kinetic Monte-Carlo techniques, Journal of Nuclear Materials

Rieth, M., Boutard, J.L., Dudarev, S.L., Ahlgren, T., Antusch, S., Baluc, N., Barthe, M.F., Becquart, C.S., Ciupinski, L., Correia, J.B., Domain, C., Fizkar, J., Fortuna, E., Fu, C.C., Gaganidze, E., Galan, T.L., Garcia-Rosales, C., Gludovatz, B., Greuner, H., Heinola, K., Holstein, N., Justin, N., Koch, F., Krauss, W., Kurzudlowski, K.J., Linke J., Linsmemeier, Ch., Luzginova, N., Maier, H., Martinez, M.S., Muhammed, M., Munoz, A., Muzyk, M., Nordlund, K., Nguyen-Manh, D., Norajitra, P., Pintsuk, G., Pippan, R., Ritz G., Romaner, L., Rupp, D., Schaublin, R., Schlosser, J., Uytdenhouven, I., van der Laan, J., Veleva, L., Ventelon, L., Wahlberg, S., Williame, F., Wurster, S., Yar, M.A. (2010). Review on the EFDA program on tungsten materials science and technology, Journal of Nuclear Materials

Lavrentiev, M.Yu., Nguyen-Manh, D., Dudarev, S.L. (2010). Cluster expansion model for Fe-Cr alloys, the prototype materials for fusion power plants, Computational Materials Science, 49, S199-S203

Phasha, M.J., Ngoepe, P.E., Chauke, H.R., Pettifor, D.G., Nguyen-Manh, D. (2010). Link between structural and mechanical stability of fcc and bcc-based ordered Mg-Li alloys, Intermetalics, 18, 2083-2089

Lavrentiev, M.Yu., Nguyen-Manh, D., Dudarev, S.L. (2010). Magnetic cluster expansion model for bcc-fcc transitions in Fe and Fe-Cr alloys, Physical Review B, 81, 184202(1-5)

Chauke, H.R., Minisini, B., Drautz, R., Nguyen-Manh, Ngoepe, P.E. Pettifor, D.G. (2010). Theoretical investigation of the PtAl3 ground state, Intermetalics, 18, 417-421

Nguyen-Manh, D., Dudarev, S.L. (2009). Many-body Stoner Hamiltonian for binary Fe-Cr alloys, Physical Review B, 80, 104440

Nguyen-Manh, D. (2009). Ab-initio modeling of point defect-impurity interaction in tungsten and other bcc transition metals, Advanced Materials Research, 59, 253-256

Dudarev, S.L., Boutard, J.L., Lässer, R.,  Caturla, M.R., Derlet, P.M., Fivel, M., Fu, C.C., Lavrentiev, M.Y.,  Malerba, L., Mrovec, M., Nguyen-Manh, D., Nordlund, K., Perlado, M., Schäublin,R., Van Swygenhoven, H.,  Terentyev, D., Wallenius, J., Weygand, D., Willaime, F. (2009). The EU programme for modelling radiation effects in fusion reactor materials: An overview of recent advances and future goals, Journal of Nuclear Materials 386-388 1-7

Lavrentiev, M.Y., Dudarev, S.L., Nguyen-Manh, D. (2009). Magnetic cluster expansion simulation of Fe-Cr alloys,  Journal of Nuclear Materials 386-388, 22-25

Nguyen-Manh, D., Lavrentiev, M.Yu., Dudarev, S.L. (2009). Magnetic properties of point defect interaction with impurity atoms in Fe-Cr alloys, Journal of Nuclear Materials 386-388, 60-63

Borishenko, K., Chen, Y., Song, A.S., Nguyen-Manh, D., Cockayne, D.J.H. (2009). A concerted rational crystallization/amorphous mechanism in Ge2Sb2Te5, Journal of Non-Crystalline Solids, 355, 2122-2126

Li, G.,  Borisenko, K.B., Chen, Y., Nguyen-Manh, D.,  Ma, E.  and Cockayne, D.J.H. (2009). Local structure variations in Al89La6Ni5 metallic glass, Acta Materialia, 57, pp. 804-811.

Nicholls, R.J, Nguyen-Manh, D., Cockayne, D.J.H., S. Lasar, (2009). The effect of structural changes on ELNES for C60, Chemical Physics Letter, 470, 116-119

Brutti, S., Nguyen-Manh, D., Pettifor, D.G., Manfrinetti, P., Napoletano, M. and Canepa F. (2009).  Electronic, electrical and thermodynamic properties of Ca5Si3 by first principles calculations and low temperature experimental techniques,  CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 33, 260

Nguyen-Manh, D., Lavrentiev, M.Yu., Dudarev, S.L. (2008). Ab-intio and Monte-Carlo modeling in Fe-Cr system: Magetic orgin of anomalous thermodynamic and kinetic properties, Computational Materials Science, 44, 1-8

Fitzgerald, S.P., Nguyen-Manh, D. (2008). Peierls potentials for crowdions in the bcc transition metals, Physical Review Letters, 101, 115504

Nguyen-Manh,D., Lavrentiev, M.Yu., Dudarev, S.L. (2008). The Fe-Cr system: Atomistic modelling of thermodynamics and kinetics of phase transformations, Comptes Rendus Physique, 9, 379-388 (2008)

Nguyen-Manh, D. Mrovec, M., Fitzgerald, S.P. (2008). Dislocation driven problems in atomistic modelling of materials, Materials Transactions, 49, 2497-2506

Fitzgerald, S.P., Nguyen-Manh, D. (2008). High-order Frenkel Kontoova modellings of crowdions, in Electron Microscopy and Muliscale Modeling EMMM-2007, American Institute of Physics, 93-101

Brutti, S., Nguyen-Manh, C. and Pettifor, D.G.  (2008). Lattice stability of intermediate phases of the Sr-Si system. Journal  of Alloys and Componds, 457, 29

Nguyen-Manh, D., Vitek, V. Horsfield, A.P. , (2007). Environmental dependence of bonding: A challenge for modelling intermetallics and fusion materials, Progress in Materials Science, 52, 255-298

Aoki, M., Nguyen-Manh, D., Pettifor, D.G., Vitek V. (2007). Atom-based bond-order potentials for modeling mechanical properties of metals, Progress in Materials Science, 52, 154-195

Derlet, P.M., Nguyen-Manh, D., Dudarev, S.L. (2007). Multi-scale modelling of crowdions and vacancies in bcc transition metals, Physical Review B, 76, 054107(1-22)

Nguyen-Manh, D., Horsfield, A.P., Dudarev, S.L. (2007). Systematic specific-group trends for point defects in bcc transition metals, Journal of Nuclear Materials, 367-370, 257-262

Lang, C. Song, S.A., Nguyen-Manh, D., Cockayne, D.J.H. (2007). Building block of amorphous Ge2Sb2Te5, Physical Review B, 76, 054101

Nguyen-Manh, D., Lavrentiev, M.Yu., Dudarev, S.L. (2007). Magnetic orgin of nano-clustering and point defect interactions in Fe-Cr alloys: An ab-initio study, Journal of Computer-Aided Materials Design, 14, 159-169

Mrovec, M., Groger,R., Bailey, A.G., Nguyen-Manh, D., Elsasser, C., Vitek V. (2007). Bond-order potentials for simulation of extended defects in tungsten, Physical Review B, 7501419 (1-16)

Lavrentiev, M.Y., Drautz, R.,  Nguyen-Manh, D.,  Klaver, T.P.C., Dudarev, S.L. (2007). Monte Carlo study of thermodynamic properties and clustering in the bcc Fe-Cr system, Physical Review B, 75 014208

Cawkwell, M.J., Woodward, C., Nguyen-Manh, D., Pettifor, D.G., Vitek, V. (2007).  Atomistic study of athermal cross-slip and its impact on the mechanical properties of irridium, Acta Materiala, 55, 161-169

Lavrentiev, M.Y., Nguyen-Manh, D., Dudarev, S.L., Drautz, R., Klaver, T.P.C. (2007). Monte Carlo simulation study of Fe-Cr solid solution, Journal of Computer-Aided Materials Design, 14, 203

Nguyen-Manh, D., Horsfield, A.P., Dudarev, S.L. (2006). Self-interstitial atom defects in bcc transition metals: Group specific trends, Physical Review B, 73, 020101 (1-4)

Nguyen-Manh, D., Dudarev, S.L. (2006). Multi-scale modelling of defect behavior in bcc transition metals and iron alloys for future fusion power plants, Materials Science and Engineering A, 423, 74-78

Nguyen-Manh, D., Dudarev, S.L. (2006). Multi-scale modelling of materials for fusion power plants, Computational Materials Science, 36, 112-116

Murdick, D.A., Zhou, X.W., Wadley, H.N.G., Nguyen-Manh, D., Drautz, R., Pettifor, D.G. (2006). Analytic bond-order potentials for the gallium arsenide system, Physical Review B, 73, 045206

Brutti, S., Nguyen-Manh, D., Pettifor D.G. (2006). Lattice stability of Ca, Sr and Yb disilicides, Intermetallics, 14, 1472-1486.

Cawkwell, M.J., Nguyen-Manh, C., Pettifor, D.G., Vitek,V. (2006). Contruction, assessment and application of a bond-order potential for irridium, Physical Review B, 73, 064104

Nicholls, R.J., Nguyen-Manh, D., Cockayne, D.J.H. (2006). Modelling of crystalline C60 EEL spectra , J. of Phys.: Conf. Ser., 26, 153.

Winkelman, G.B.,  Dwyer, C., Marsh, C., Hudson, T.H., Nguyen-Manh, D.,  Doblinger, M.,  Cockayne, D.J.H. (2006). The crystal/glass interface in doped Si3N4, Materials Science and Engineering A, 422, 77-84.

Nicholls, R.J., Nguyen-Manh, D., Cockayne, David J.H. (2006). Simulated electron energy loss spectra from a C70 crystal , Micron, 37,  449-451

Lang, C., Nguyen-Manh, D. and Cockayne, David J.H. (2006).  Modelling Ge/Si quantum dots using finite element analysis and atomistic stimulation, J of Physics Conf. Series, 29, 141-144.

Hudson, T.S., Nguyen-Manh, D., van Duin, A.C.T., Sutton, A.P. (2006). Grand canonical Monte-Carlo simulations of intergranular glassy films in silicon nitride, Materials Science and Engineering A, 422, 123

Nguyen-Manh, D., Cawkwell, M.J., Groger, R., Mrovec, M., Polizek, R., Pettifor, D.G., Vitek V. (2005). Dislocation in materials with mixed colvalent and metallic bonding, Materials Sience and Engineering A, 400-401, 68

Cawkwell, M.J., Nguyen-Manh, D., Woodward, C., Pettifor, D.G., Vitek,V. (2005). Origin of brittle cleavage in Irridium, Science, 309, 1059-1062

Lang, C., Cockayne, D.J.H, Nguyen-Manh, D. (2005). Alloyed Ge(Si)/Si(001) islands: Composition profile and the shape transformation, Physical Review B, 72, 155328

Drautz, R., Murdick, D.A., Nguyen-Manh, D., Zhou, X.W., Wadley, H.N.G., Pettifor, D.G. (2005). Analytic bond-order potentials for predictng structural trends across the sp-valent elements, Physical Review B, 72, 144105

Kohary, K., Bularkov, V.M., Pettifor, D.G., Nguyen-Manh, D. (2005). Modeling In-Se amorphous alloys, Physical Review B, 71, 184203

Liu, G.Q., Nguyen-Manh, D., Liu, B.G., Pettifor, D.G. (2005). Magnetic properties of point defects in iron within tight-binding bond Stoner model, Physical Review B, 71, 144115 (1-8)

Pankhust, D.A., Yuan, Z., Nguyen-Manh, D., Abel, M.L., Shao, G., Watts, J.F., Pettifor, D.G., Tsakiropolous, P. (2005). Electronic structure and bonding in Mo3Si, Mo5Si3, Mo(Al,Si)2 investigated by X-ray photoelectron spectroscopy and density functional theory, 71, 075114

Lee. S.M., Nicholls, R.J., Nguyen-Manh, D., Pettifor, D.G., Briggs, G.A.D., Lazar, S., Pankhust, D.A., Cockayne, D.J.H. (2005). Electron energy loss spectra of C60 and C70 fullurenes, Chemical Physics Letters, 404, 206-211

Trambly de Laissardiere, G., Nguyen-Manh, D., Mayou, D. (2005). Electronic structure of complex Hume-Rothery phases and quasicrystals in transition metal aluminides, Progress in Materials Science, 50, 679 - 788

Trambly de Laissardiere, G., Nguyen-Manh, D., Mayou, D. (2005). Electronic structure of complex spd Hume-Rothery phases in transition metal aluminides, in The Science of Complex Alloy Phase, Edtors Massalski T.B, Tuchi, P.E.A., Publication of TMS, 345-372 

Winkelman, G.B., Dwyer, C.,  Hudson, T.S.,  Nguyen-Manh, D., Doblinger, M.,  Satet, R.L., Hoffmann, M.,  Cockayne, D.J.H. (2005). Three-dimensional arrangement of rare-earth elements at prismatic grain boundaries in silicon nitride, Appl. Phys. Lett., 87, pp. 1-3.

Murdick, D.A., Zhou, X.W., Wadley, H.N.G., Nguyen-Manh, D. (2005). Predicting surface free energies with interatomic potentials and electron counting, Journal of Physics: Condensed Matter, 17, 6123

Morley, G.W., Herbert, B.J., Lee, S.M., Porfyrakis, K., Dennis, T.J.S., Nguyen-Manh, D., Scripioni, R., van Tol, J., Horsfield, A.P., Ardavan, A., Pettifor, D.G., Green, J.C., Briggs, G.A. (2005). Hyperfine structure of Sc@C82 from ESR and DFT, Nanotechnology, 16, 2469-2473

Cawkwell, M.J., Mrovec, M., Nguyen-Manh, D., Pettifor, D.G. and Vitek, V. (2005). A bond-order potential incorporating analytic screening functions for the molybdenum silicides, Mater. Res. Soc. Symp. Proc.,842 S2.8.1(1-6)

Cawkwell, M.J., Nguyen-Manh, D., Vitek, V. and Pettifor, D.G. (2005). A combined ab-initio and bond-order potentials study of cohesion in iridium, Mater. Res. Soc. Symp. Proc.,799, W5.5.1(1-6)

Trambly de Laissardiere, G., Nguyen-Manh, D., Mayou, D. (2004). Effective medium-range Mn-Mn pair interaction includes pseudo-gap in the density of states of Al(Si)-Man approximants, Journal of Non-Crystalline Solids, 334-335, 347-351

Mrovec, M., Nguyen-Manh, D., Pettifor, D.G., Vitek, V. (2004). Bond-order potentials for molybdenum: Application to dislocation behavior, Physical Review B, 69, 094115

Pankhust, D.A., Nguyen-Manh, D., Pettifor, D.G. (2004). Electronic origin of structural trends across earlier transition metal disilisides: Anomalous behavior in CrSi2, Physical Review B, 69 075113

Winkelman, G.B., Dwyer, C.,  Hudson, T.S., Nguyen-Manh, D., Doblinger, M.,  Satet, R.L.,  Hoffmann, M.J.,  Cockayne, D.J.H. (2004). Arrangement of rare-earth elements at prismatic grain boundaries in silicon nitride, Phil. Mag. Lett., 84, 755-762.

Doblinger, M., Marsh, C.D., Nguyen-Manh, D., Ozkaya, D. and Cockayne, David J.H. (2004). Intergranular films in Si3N4 studied by TEM. , Electron Microscopy & Analysis, 401-404.

Nguyen-Manh, D., Cockayne, David J.H., Doeblinger, M., Marsh, C., Sutton, A.P. and van Duin, A..C.T. (2004). Structural modelling of nano-amorphous Si-O-N films in silicon nitride ceramics, Electron Microscopy & Analysis, 139-142.

Lang. C., Nguyen-Manh, D. and Cockayne, David J.H. (2004). The non-uniform composition profile in Ge(Si)/Si(001) quantum dots, Electron Microscopy & Analysis, 35-38.

Prior, T.J., Nguyen-Manh, D. Couper, V.J., Battle, P.D. (2004).  Journal of Physics: Condensed Matter, 16, 2273

Pettifor, D.G., Finnis, M., Nguyen-Manh, D., Murdick, D.A., Zhou, X., Wadley, H. (2004). Analytic bpnd-order potentials for multi-component systems, Materials Science and Engineering A, 365, 2

Drautz, R., Nguyen-Manh, D.,  Murdick, D.A.,  Zhou, X. W., Wadley, H., Pettifor, D.G. (2004) Interatomic bond-order potentials and cluster expansions, TMS Letters, 1, 31

Khlobystov, A., Scipioni, R., Nguyen-Manh, D., Britz, D., Pettifor, D.G., Briggs, A., Lyapin, S., Ardavan, A., Nicholas, R., (2004). Controlled orientation of ellipsoidal fullerence C70 in carbon nanotubes, Applied Physics Letters, 84, 792-795

Nguyen-Manh, D., Trambly de Lassadiere, G. (2003). First-principles predictions of magnetic properties for a complex and strongly correlated to quasi-crystalline phase mu-Al4Mn, Journal of Magnetism and Magnetic Materials, 262, 496-501

Mukhopadhyay S., Nguyen-Manh, D. (2003). Induced magnetic moments of X (X=Sn, Au, Cu, Mo, Co) in thin Fe/Cr/Sn/Cr multilayers, Physica B, 334, 202

Mrovec, M., Ochs, T., Elsasser, Vitek, V., Nguyen-Manh, D., Pettifor, D.G. (2003). Never ending sage of a simple boundary, Z. Metallkd. 94, 1-6

Nguyen-Manh, D., Pettifor, D.G., Cockayne, D.J.H, Mrorec, M., Znam, S. Vitek, V.(2003). Environmentally dependent bond-order potentials: New developments and applications,  Bulletin of Materials Science, 26, 43-52

Nguyen-Manh, D., Sara-Daguspta, T., Andersen, O.K. (2003). Tight-binding model for carbon from the third generation LMTO method: A study of transferability, Bulletin of Materials Science, 26, 27-32

Porizek, R., Znam, S., Nguyen-Manh, D., Vitek, V., Pettifor, D.G. (2003). Atomistic modeling of dislocation glide in gamma-TiAl, MRS Proceeding, 753, BB4.3.1(1-6)

Znam, S., Nguyen-Manh, D., Pettifor, D.G., Vitek, V. (2003). Atomistic modeling of TiAl I: Bond-order potentials with environmental dependence, Philosophical Magazine, 83, 415-438

McBride, W., Cockayne, David J.H, and Nguyen-Manh, D. (2003). Electron diffraction from nanovolumes of amorphous material using coherent convergent illumination, Ultramicroscopy, 96, 191-200

S. Mukhopadhyay S., Nguyen-Manh, D. (2002). Origin of induced Sn magnetic moments in thin Fe/Cr/X/Cr multilayers, Physical Review  B, 66, 144408

Pettifor, D.G., Oleinik, I., Nguyen-Manh, D., Vitek, V. (2002). Bond order potentials: bridging the electronic to atomistic modelling hierachies, Computational Materials Science, 23, 33

Chauke, H.R., Nguyen-Manh, D., Ngoepe, P.E., Pettifor, D.G., Fries, S.G. (2002). Electronic structure and stability of pentlandites Co9S8 and (Fe,Ni)9S8, Physical Review B, 66, 155105 (1-5) 

Mrovec M., Nguyen-Manh D., Pettifor D.G. and Vitek V. (2001). Bond-order potential with analytic environment-dependent tight-binding integrals: application to bcc-Mo, MRS Sym. Proc. Vol. 653, p. Z6.3

Kim S., Nguyen-Manh D., G.D.W. Smith and Pettifor, D.G.(2000). Site preference of Ru and Pd additions to Gamma-based TiAl intermetallics, Phil. Mag. A, 80, 2489-2508

Nguyen-Manh D. and Pettifor, D.G., and Vitek V. (2000). Analytic Environment-Dependent Tight-Binding Bond Integrals: Application to MoSi2, Phys. Rev. Lett., vol. 85, 4136-4139

Nakamura H., Nguyen-Manh D. and Pettifor D.G. (2000). Environmental depedence of screened tight-binding parameters in La2Ni10H14, Journal of Alloys and Compounds, vol. 306, 113-121

Shao G., Nguyen-Manh D., Pettifor D.G. and Tsakiropolous P. (2000). Omega phase formation in a rapidly solidified Cr-40% Al alloys, Phil. Mag. Lett, vol. 80, 703-710

Znam S., Nguyen-Manh D., Vitek V. and D.G. Pettifor (2000). Bond order potentials for transition metal based alloys: Ti-Al and Mo-Si, in ' Properties of Complex Inorganic Materials', Eds: Meike et.al.,p. 479

Mrovec. M., Vitek V., Nguyen-Manh D., Pettifor, D.G., Wang, L.G. and Sob (2000). Study of Mechanical Behaviour of bcc transition metals using bond-order potentials, MRS Proceedings  578, 199-204