Computational and theoretical techniques for materials science / Panel on Computational and Theoretical Techniques for Materials Science, Naval Studies Board, Commission on Physical Sciences, Mathematics, and Applications, National Research Council.

Format:

Book

Author/Creator:

National Research Council (U.S.). Panel on Computational and Theoretical Techniques for Materials Science.

Language:

English

Subjects (All):

Materials science--Research--United States.

Materials science.

Naval Research Laboratory (U.S.).

Physical Description:

1 online resource (58 p.)

Place of Publication:

Washington, D.C. : National Academy Press, 1995.

Language Note:

English

Contents:

""Computational and Theoretical Techniques for Materials Science ""; ""Copyright""; ""Preface""; ""Contents""; ""Chapter 1 Introduction and Summary ""; ""Chapter 2 Challenges in Materials Research for the Remainder of the Century ""; ""NEW MATERIALS""; ""Background""; ""Present Status and Critical Issues""; ""Future Theoretical Developments and Computing Forecast""; ""SEMICONDUCTORS""; ""OPTICAL PROPERTIES""; ""Background""; ""Present Status and Critical Issues""; ""Linear Optics""; ""Nonlinear Optics""; ""Future Theoretical Developments and Computing Forecast""; ""SURFACES AND INTERFACES""

""Critical Issues""""Forecast and Impact of High-Performance Computing""; ""GROWTH OF ARTIFICIALLY ENGINEERED FILMS""; ""Determination of Phenomenological Potentials""; ""Modeling Growth of Submonolayer Structures""; ""Systems Composed of Many Layers""; ""Steps""; ""Strained Layer Superlattices""; ""Surfactants""; ""High-Speed Deposition""; ""NANOENGINEERING OF THE DYNAMICAL BEHAVIOR OF MATERIALS""; ""CHEMICAL DYNAMICS: SURFACE CHEMISTRY, CORROSION, EXPLOSIONS""; ""Background""; ""Important Problems""; ""Computational Methodology""; ""Applications""; ""Computing Forecast""

""MOLECULAR HYDRODYNAMICS OF DETONATION""""Background""; ""Challenges for the Future""; ""STRENGTH OF MATERIALS, DEFECTS, HIGH-TEMPERATURE MATERIALS""; ""Background""; ""Computational Issues and Forecast""; ""COMPOSITES, POLYMERS, CERAMICS""; ""Background""; ""Present Status and Critical Issues""; ""Future Theoretical Developments and Computing Forecast""; ""ALLOY PHASE DIAGRAMS""; ""MAGNETIC MATERIALS""; ""Itinerant Transition-Metal Magnets""; ""Thermodynamics of Magnetic Order""; ""Spin-Orbit Effects""; ""Localized f Electrons""; ""Highly Correlated Systems""

""Future Prospects and Opportunities""""STRONGLY INTERACTING SYSTEMS""; ""Background""; ""Critical Issues""; ""Computational Forecast""; ""Chapter 3 Computational Perspectives for the Remainder of the Decade ""; ""ALGORITHMIC ISSUES""; ""ALGORITHMS AND FORMULATIONS APPROPRIATE TO PARALLEL COMPUTING""; ""CURRENT TRENDS IN THE MASSIVELY PARALLEL PROCESSING ENVIRONMENT""; ""Chapter 4 Implications and Opportunities for NRL ""; ""CODE PARALLELIZATION""; ""INTERACTION WITH EXPERIMENTALISTS""; ""INCORPORATION OF CHEMISTRY INTO MATERIALS CALCULATIONS""

""ADVANCES IN THE TREATMENT OF ELECTRON CORRELATIONS""""BRIDGING THE ATOMIC AND MESOSCOPIC SCALES""; ""STRENGTH OF MATERIALS""; ""PREDICTING THE OPTICAL PROPERTIES OF MATERIALS FROM FIRST PRINCIPLES""; ""ALLOY PHASE DIAGRAMS""; ""DETERMINATION OF PHENOMENOLOGICAL INTERACTIONS FROM ELECTRONIC STRUCTURE CALCULATIONS""; ""Epilogue""

Notes:

Description based upon print version of record.