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The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
This textbook describes the fundamental principles of structural phase transitions in materials in an easily understandable form, suitable for both undergraduate and graduate students.
artensite forms under rapid cooling of austenitic grains accompanied by a change of the crystal lattice. Large deformations are induced which lead to plastic dislocations. In this work a transformation model based on the sharp interface theory, set in a finite strain context is developed. Crystal plasticity effects, the kinetic of the singular surface as well as a simple model of the inheritance from austenite dislocations into martensite are accounted for.
PRICM-8 features the most prominent and largest-scale interactions in advanced materials and processing in the Pacific Rim region. The conference is unique in its intrinsic nature and architecture which crosses many traditional discipline and cultural boundaries. This is a comprehensive collection of papers from the 15 symposia presented at this event.
Martensitic Transformation examines martensitic transformation based on the known crystallographical data. Topics covered range from the crystallography of martensite to the transformation temperature and rate of martensite formation. The conditions for martensite formation and stabilization of austenite are also discussed, along with the crystallographic theory of martensitic transformations. Comprised of six chapters, this book begins with an introduction to martensite and martensitic transformation, with emphasis on the basic properties of martensite in steels such as carbon steels. The next two chapters deal with the crystallography of martensite and discuss the martensitic transformation behavior of the second-order transition; lattice imperfections in martensite; and close-packed layer structures of martensites produced from ? phase in noble-metal-base alloys. Thermodynamical problems and kinetics are also analysed, together with conditions for the nucleation of martensite and problems concerning stabilization of austenite. The last chapter discusses the theory of the mechanism underlying martensitic transformation. This monograph will be of interest to metallurgists and materials scientists.
This collection is organized around the central theme of “Martensite by Design.” Contributions include design, microstructure, properties, advanced processing and manufacturing, performance, phase transformations, and characterization.
This comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments. Features many examples of how the methods explained can be used in materials science and engineering applications.
Quenching and tempering are common processes used in the manufacture of steel components. The development of simulation tools for quenching is critical for improving process performance by minimizing component distortion and maximizing service life. While modeling of quenching has received considerable attention, there has not been much work on similar tools for tempering. This paper presents an efficient simulation tool to predict microstructure, temperature, and stress evolution, and is applicable to both quenching and tempering processes. This method takes into account the temperature dependence of material properties, transformation strains, latent heats of transformation, and transformation plasticity. Furthermore, three different micromechanical approaches are implemented and studied to simulate steel as a multiphase constitutive material: the average property model, the Voigt model, and the Reuss model. These models assume that the properties of a unit volume of material can be derived, respectively, by applying the linear rule of mixtures to the material properties of its constituent phases, by assuming that all constituent phases have the same strain field, and by assuming that all constituent phases have the same stress field. The model predicts the microstructure, stress, and distortion in the heat treated component. The simulation model is implemented within the framework of the ABAQUS finite element package by taking advantage of its advanced features to incorporate user defined material properties. Given that the material properties are strongly dependent on carbon content, the simulation method is tested using experiments with modified 4320 steel plates that were carburized on one side to amplify distortion when quenched, due to martensitic phase transformation. Distorted shapes are measured and compared to model predictions for both quenching and tempering. The detailed comparisons provide confidence in the model as well as suggestions for improvement.