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Materials Research by Means of Multiscale Computer Simulation

  • Tomás Díaz de la Rubia and Vasily V. Bulatov

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Predicting the properties and performance of materials is central to the success of major industries producing a vast range of consumer goods and to research programs at laboratories and universities around the world. For many years, scientists have longed to have computer simulations that predict the behavior of materials and track the evolution of their microstructures from the atomic to the engineering scales. Until recently, such simulations had been little more than an elusive goal.

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1In conjunction with the appearance of this issue, the Materials Research Society will be hosting a symposium on computational materials science focused on multiscale modeling at the 2001 MRS Spring Meeting in San Francisco (Symposium AA: Advances in Materials Theory and Modeling—Bridging Over Multiple Length and Time Scales). Also at this meeting, MRS is planning a tutorial consisting of lectures on the fundamentals of simulations at the four length scales described here, followed by hands-on tutorials. Over the last few years, MRS has sponsored symposia on this topic that have resulted in several volumes with invited and contributed papers. For example, see Computational and Mathematical Models of Microstruc-tural Evolution, edited by Bullard, J.W., Chen, L.-Q., Kalia, R.K., and Stoneham, A.M. (Mater. Res. Soc. Symp. Proc. 529, Warrendale, PA, 1998); Multiscale Modeling of Materials, edited by V.V. Bulatov, T. Diaz de la Rubia, R. Phillips, E. Kaxiras, and N. Ghoniem (Mater. Res. Soc. Symp. Proc. 538, Warrendale, PA, 1999); Multi-scale Phenomena in Materials—Experiments and Modeling, edited by I.M. Robertson, D.H. Las-sila, B. Devincre, and R. Phillips (Mater. Res. Soc. Symp. Proc. 578, Warrendale, PA, 2000); and Multiscale Modeling of Materials—2000, edited by L.P. Kubin, J.L. Bassani, K. Cho, H. Gao, and R.L.B. Selinger (Mater. Res. Soc. Symp. Proc. 653, Warrendale, PA, 2001) to be published.

Materials Research by Means of Multiscale Computer Simulation

  • Tomás Díaz de la Rubia and Vasily V. Bulatov

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