Computational Tools for Simulation of Phase Transformations

Computational Tools for Simulation of Phase Transformations PDF Author: Mikael Schalin
Publisher:
ISBN: 9789171703705
Category :
Languages : en
Pages : 17

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Book Description

Computational Tools for Simulation of Phase Transformations

Computational Tools for Simulation of Phase Transformations PDF Author: Mikael Schalin
Publisher:
ISBN: 9789171703705
Category :
Languages : en
Pages : 17

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Book Description


Mathematical Modeling and Computational Tools

Mathematical Modeling and Computational Tools PDF Author: Somnath Bhattacharyya
Publisher: Springer Nature
ISBN: 9811536155
Category : Mathematics
Languages : en
Pages : 497

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Book Description
This book features original research papers presented at the International Conference on Computational and Applied Mathematics, held at the Indian Institute of Technology Kharagpur, India during November 23–25, 2018. This book covers various topics under applied mathematics, ranging from modeling of fluid flow, numerical techniques to physical problems, electrokinetic transport phenomenon, graph theory and optimization, stochastic modelling and machine learning. It introduces the mathematical modeling of complicated scientific problems, discusses micro- and nanoscale transport phenomena, recent development in sophisticated numerical algorithms with applications, and gives an in-depth analysis of complicated real-world problems. With contributions from internationally acclaimed academic researchers and experienced practitioners and covering interdisciplinary applications, this book is a valuable resource for researchers and students in fields of mathematics, statistics, engineering, and health care.

Phase Transformations

Phase Transformations PDF Author: Srikumar Banerjee
Publisher: Elsevier
ISBN: 0080548792
Category : Technology & Engineering
Languages : en
Pages : 837

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Book Description
The terms phase transitions and phase transformations are often used in an interchangeable manner in the metallurgical literature. In Phase Transformations, transformations driven by pressure changes, radiation and deformation and those occurring in nanoscale multilayers are brought to the fore. Order-disorder transformations, many of which constitute very good examples of continuous transformations, are dealt with in a comprehensive manner. Almost all types of phase transformations and reactions that are commonly encountered in inorganic materials are covered and the underlying thermodynamic, kinetic and crystallographic aspects elucidated. - Shows readers the advancements in the field - due to enhanced computing power and superior experimental capability - Drawing upon the background and the research experience of the authors, bringing together a wealth of experience - Written essentially from a physical metallurgists view point

Computational Study of Microstructure Evolution During Phase Transformations

Computational Study of Microstructure Evolution During Phase Transformations PDF Author: Taiwu Yu
Publisher:
ISBN:
Category : Martensitic transformations
Languages : en
Pages : 0

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Book Description
Phase transformation is always a critical topic in the study of materials science. Most people have been familiar with some transformations between solid and liquid, such as ice to water, or transformations between liquid and gas, such as water to vapor. Besides, the phase transformations in solids also occur everywhere. Some solid phase transformations occur due to temperature variations. Those transformations may also be affected by external stress or strain, as seen in shape memory alloys (SMAs). The solid-solid transformation is considered to be the one of the most effective ways to tailor the microstructure and properties of the alloys, moreover, it sometimes strengthens the structural materials. There are some types of solid-state phase transformations that are hard to characterize in the traditional experiments. The difficulty mainly comes from two aspects. Firstly, some of the phase transformations happen too fast, such as martensitic transformation. The speed of the martensitic transformation is close to the speed of sound traveling in solids (~1000m/s), which makes it difficult to know how it starts and evolves. Secondly, some of the phase transformation processes are too slow, such as oxidation. It could take years to form a continuous layer of oxides in microns. With the fast development of high-performance computing, the study of phase transformations through computational tools attracts more and more attention. The objective of this thesis is to apply computational tools to study the two types of phase transformations and their corresponding mechanical properties: precipitation and martensitic transformation. As one of the most important structural phase transformations discovered in metallurgy and materials science, martensitic transformation (MT) has been attracting continued attention since its discovery in the late nineteenth century till today because it relates closely to the functional properties of NiTi-based alloy such as the superelasticity and shape memory effect. Most importantly, MT can be tailored through nano-scale defects in materials. Firstly, nano-scale defects in the B2 parent phase are known to have profound impacts on the properties of NiTi-based shape memory alloys. We employed the phase field models (PFM) to study the effects of two typical nano-scale defects, nano-scale precipitates and voids, on MT. The simulation of precipitation unveiled the mechanical and chemical effects on the behavior of MT in NiTi-Hf alloys. Moreover, the simulation of MT with the coexistence of precipitates explained the mechanism of two typical patterns of martensite. The results indicates that the stress-strain response has great dependence on the concentration heterogeneity in the matrix as well as precipitate microstructures. Through the simulation we proved the feasibility to achieve linear or quasi-linear superelasticity with high recoverable strain (up to 4%) in NiTi-Hf alloys after the precipitation. In the simulation of MT under the effects of nano voids in NiTi, we observed that martensite could be confined in the interspacing area between voids. Besides, MT could be triggered at lower critical stress with larger volume fraction of voids. This simulation may shed lights on the design of the porous NiTi alloys for the biomedical application. In superalloys, the microstructure of precipitates can be altered by the formation of an oxide layer on the surface. It is observed that the \gamma\prime precipitates dissolve at the near-surface region with the formation of the oxide layer in the alloy. We employed DICTRA module in Thermo-calc Software to solve the multicomponent diffusion equations in alloy H282 with an outward flux of chromium or aluminum due to oxidation and applied PFM to simulate the dissolution of precipitates. The local variation of precipitates’ volume fraction as a function of oxidation time has been quantitatively determined. The calculation of precipitates depletion depth shows good agreement with the experiments. The highly heterogeneous structure of \gamma\prime precipitates is expected to have a significant effect on the creep behavior of the alloy.

Integrative Computational Materials Engineering

Integrative Computational Materials Engineering PDF Author: Georg J. Schmitz
Publisher: John Wiley & Sons
ISBN: 352733081X
Category : Technology & Engineering
Languages : en
Pages : 347

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Book Description
Presenting the results of an ambitious project, this book summarizes the efforts towards an open, web-based modular and extendable simulation platform for materials engineering that allows simulations bridging several length scales. In so doing, it covers processes along the entire value chain and even describes such different classes of materials as metallic alloys and polymers. It comprehensively describes all structural ideas, the underlying concepts, standard specifications, the verification results obtained for different test cases and additionally how to utilize the platform as a user and how to join it as a provider. A resource for researchers, users and simulation software providers alike, the monograph provides an overview of the current status, serves as a generic manual for prospective users, and offers insights into the inner modular structure of the simulation platform.

Handbook of Solid State Diffusion: Volume 1

Handbook of Solid State Diffusion: Volume 1 PDF Author: Aloke Paul
Publisher: Elsevier
ISBN: 0128043601
Category : Science
Languages : en
Pages : 550

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Book Description
Handbook of Solid State Diffusion, Volume 1: Diffusion Fundamentals and Techniques covers the basic fundamentals, techniques, applications, and latest developments in the area of solid-state diffusion, offering a pedagogical understanding for students, academicians, and development engineers. Both experimental techniques and computational methods find equal importance in the first of this two-volume set. Volume 1 covers the fundamentals and techniques of solid-state diffusion, beginning with a comprehensive discussion of defects, then different analyzing methods, and finally concluding with an exploration of the different types of modeling techniques. Presents a handbook with a short mathematical background and detailed examples of concrete applications of the sophisticated methods of analysis Enables readers to learn the basic concepts of experimental approaches and the computational methods involved in solid-state diffusion Covers bulk, thin film, and nanomaterials Introduces the problems and analysis in important materials systems in various applications Collates contributions from academic and industrial problems from leading scientists involved in developing key concepts across the globe

Continuum Scale Simulation of Engineering Materials

Continuum Scale Simulation of Engineering Materials PDF Author: Dierk Raabe
Publisher: John Wiley & Sons
ISBN: 3527604219
Category : Technology & Engineering
Languages : en
Pages : 885

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Book Description
This book fills a gap by presenting our current knowledge and understanding of continuum-based concepts behind computational methods used for microstructure and process simulation of engineering materials above the atomic scale. The volume provides an excellent overview on the different methods, comparing the different methods in terms of their respective particular weaknesses and advantages. This trains readers to identify appropriate approaches to the new challenges that emerge every day in this exciting domain. Divided into three main parts, the first is a basic overview covering fundamental key methods in the field of continuum scale materials simulation. The second one then goes on to look at applications of these methods to the prediction of microstructures, dealing with explicit simulation examples, while the third part discusses example applications in the field of process simulation. By presenting a spectrum of different computational approaches to materials, the book aims to initiate the development of corresponding virtual laboratories in the industry in which these methods are exploited. As such, it addresses graduates and undergraduates, lecturers, materials scientists and engineers, physicists, biologists, chemists, mathematicians, and mechanical engineers.

Reviews in Computational Chemistry

Reviews in Computational Chemistry PDF Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119356008
Category : Science
Languages : en
Pages : 392

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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise

Field Theoretic Method in Phase Transformations

Field Theoretic Method in Phase Transformations PDF Author: Alexander Umantsev
Publisher: Springer Nature
ISBN: 3031296052
Category : Science
Languages : en
Pages : 504

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Book Description
This book describes a novel and popular method for the theoretical and computational study of phase transformations and materials processing in condensed and soft matter. The field theoretic method for the study of phase transformations in material systems, also known as the phase-field method, allows one to analyze different stages of transformations within a unified framework. It has received significant attention in the materials science community due to many recent successes in solving or illuminating important problems. In a single volume, this book addresses the fundamentals of the method starting from the basics of the field theoretic method along with its most important theoretical and computational results and some of the most advanced recent results and applications. Now in a revised and expanded second edition, the text is updated throughout and includes material on the classical theory of phase transformations. This book serves as both a primer in the area of phase transformations for those new to the field and as a guide for the more seasoned researcher. It is also of interest to historians of physics.

Recent Advances in Computational and Experimental Mechanics, Vol II

Recent Advances in Computational and Experimental Mechanics, Vol II PDF Author: D. K. Maiti
Publisher: Springer Nature
ISBN: 9811664900
Category : Technology & Engineering
Languages : en
Pages : 673

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Book Description
This book (Vol. II) presents select proceedings of the first Online International Conference on Recent Advances in Computational and Experimental Mechanics (ICRACEM 2020) and focuses on theoretical, computational and experimental aspects of solid and fluid mechanics. Various topics covered are computational modelling of extreme events; mechanical modelling of robots; mechanics and design of cellular materials; mechanics of soft materials; mechanics of thin-film and multi-layer structures; meshfree and particle based formulations in continuum mechanics; multi-scale computations in solid mechanics, and materials; multiscale mechanics of brittle and ductile materials; topology and shape optimization techniques; acoustics including aero-acoustics and wave propagation; aerodynamics; dynamics and control in micro/nano engineering; dynamic instability and buckling; flow-induced noise and vibration; inverse problems in mechanics and system identification; measurement and analysis techniques in nonlinear dynamic systems; multibody dynamical systems and applications; nonlinear dynamics and control; stochastic mechanics; structural dynamics and earthquake engineering; structural health monitoring and damage assessment; turbomachinery noise; vibrations of continuous systems, characterization of advanced materials; damage identification and non-destructive evaluation; experimental fire mechanics and damage; experimental fluid mechanics; experimental solid mechanics; measurement in extreme environments; modal testing and dynamics; experimental hydraulics; mechanism of scour under steady and unsteady flows; vibration measurement and control; bio-inspired materials; constitutive modelling of materials; fracture mechanics; mechanics of adhesion, tribology and wear; mechanics of composite materials; mechanics of multifunctional materials; multiscale modelling of materials; phase transformations in materials; plasticity and creep in materials; fluid mechanics, computational fluid dynamics; fluid-structure interaction; free surface, moving boundary and pipe flow; hydrodynamics; multiphase flows; propulsion; internal flow physics; turbulence modelling; wave mechanics; flow through porous media; shock-boundary layer interactions; sediment transport; wave-structure interaction; reduced-order models; turbo-machinery; experimental hydraulics; mechanism of scour under steady and unsteady flows; applications of machine learning and artificial intelligence in mechanics; transport phenomena and soft computing tools in fluid mechanics. The contents of these two volumes (Volumes I and II) discusses various attributes of modern-age mechanics in various disciplines, such as aerospace, civil, mechanical, ocean engineering and naval architecture. The book will be a valuable reference for beginners, researchers, and professionals interested in solid and fluid mechanics and allied fields.