Contents

 Chapter 1–

 

Introduction and Summary

 

1

 Chapter 2–

 

Challenges in Materials Research for the Remainder of the Century

 

3

   

 New Materials

 

3

   

 Background

 

3

   

 Present Status and Critical Issues

 

3

   

 Future Theoretical Developments and Computing Forecast

 

4

   

 Semiconductors

 

5

   

 Optical Properties

 

6

   

 Background

 

6

   

 Present Status and Critical Issues

 

8

   

 Future Theoretical Developments and Computing Forecast

 

8

   

 Surfaces and Interfaces

 

9

   

 Critical Issues

 

10

   

 Forecast and Impact of High-Performance Computing

 

11

   

 Growth of Artificially Engineered Films

 

12

   

 Determination of Phenomenological Potentials

 

13

   

 Modeling Growth of Submonolayer Structures

 

13

   

 Systems Composed of Many Layers

 

13

   

 Steps

 

14

   

 Strained Layer Superlattices

 

14

   

 Surfactants

 

14

   

 High-Speed Deposition

 

14

   

 Nanoengineering of the Dynamical Behavior of Materials

 

15

   

 Chemical Dynamics: Surface Chemistry, Corrosion, Explosions

 

17

   

 Background

 

17

   

 Important Problems

 

18

   

 Molecular Hydrodynamics of Detonation

 

21

   

 Background

 

21

   

 Challenges for the Future

 

23

   

 Strength of Materials, Defects, High-Temperature Materials

 

23

   

 Background

 

23

   

 Computational Issues and Forecast

 

24

   

 Composites, Polymers, Ceramics

 

25

   

 Background

 

25

   

 Present Status and Critical Issues

 

27

   

 Future Theoretical Developments and Computing Forecast

 

27

   

 Alloy Phase Diagrams

 

28

   

 Magnetic Materials

 

30



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