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Bozzolo G., Noebe R.D., Abel P.B. (eds) Applied computational materials modeling. Theory, simulation and experiment

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Bozzolo G., Noebe R.D., Abel P.B. (eds) Applied computational materials modeling. Theory, simulation and experiment
Springer Science, 2007, 507 pp.
While it is tempting to label computational materials modeling as an emerging field of research, the truth is that both in nature and foundation, it is just as much an established field as the concepts and techniques that define it. It is the recent enormous growth in computing power and communications that has brought the activity to the forefi-ont, turning it into a possible component of any modem materials research program. Together with its increased role and visibility, there is also a dynamic change in the way computational modeling is perceived in such a vast field as materials science with its wide range of length and time scales. As the pace of materials research accelerates and the need for often inaccessible information continues to grow, the demands and expectations on existing modeling techniques have progressed that much faster. Primarily because there is no one technique that can provide all the answers at every length and time scale in materials science, excessive expectations of computational materials modeling should be avoided if possible. While it is apparent that computational modeling is the most efficient method for dealing with complex systems, it should not be seen as an alternative to traditional experimentation.
Contents
Preface.
Ab initio modeling of alloy phase equilibria - A. van de Walle, G. Ghosh, M. Asta
Use of computational thermodynamics to identify potential alloy compositions for metallic glass formation - Y.A. Chang
How does a crystal grow? Experiments, models, and simulations from the nano- to the micro-scale regime - J.L. Rodriguez-Lopez, J.M. Montejano-Carrizales, M. Jose-Yacamdn
Structural and electronic properties from first-principles - X.Q. Wang
Synergy between material, surface science experiments and simulations - C. Creemers, S. Helfensteyn, J. Luyten, M. Schurmans
Integration of first-principles calculations, calphad modeling, and phase-field simulations - Z.-K. Liu andL.-Q. Chen
Quantum approximate methods for the atomistic modeling of multicomponent alloys - G. Bozzolo, J. Garces, H. Mosca, P. Gargano, R.D. Noebe, P. Abel
Molecular orbital approach to alloy design - M Morinaga, Y. Murata, H. Yukawa
Application of computational and experimental techniques in intelligent design of age-hardenable aluminum alloys - A. Zhu, G.J. Shiflet, E.A. Starke Jr.
Multiscale modeling of intergranular fracture in metals - V. Yamakov, D.R. Phillips, E. Saether, E.H. Glaessgen
Multiscale modeling of deformation and fracture in metallic materials - D. Farkas andJ.M. Rickman
Frontiers in surface analysis: experiments and modeling - D. Farias, G. Bozzolo, J. Garces, R. Miranda
The evolution of composition and structure at metal-metal interfaces: measurements and simulations - R.J. Smith
Modeling of low enrichment uranium fuels for research and test reactors - J. Garces, G. Bozzolo, J. Rest, G. Hofinan
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