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Titlebook: Applied Computational Materials Modeling; Theory, Simulation a Guillermo Bozzolo,Ronadl D. Noebe,D.R. Vij Book 2007 Springer-Verlag US 2007

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期刊全称Applied Computational Materials Modeling
期刊简称Theory, Simulation a
影响因子2023Guillermo Bozzolo,Ronadl D. Noebe,D.R. Vij
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发行地址Computational materials modeling is presented as a set of tools available for aiding the materials engineer/scientist.Each chapter describes one or more particular computational tool and how they are
图书封面Titlebook: Applied Computational Materials Modeling; Theory, Simulation a Guillermo Bozzolo,Ronadl D. Noebe,D.R. Vij Book 2007 Springer-Verlag US 2007
影响因子While it is tempting to label computational materials modeling as an emerging field of research, the truth is that both in nature and foundation, it is just as much an established field as the concepts and techniques that define it. It is the recent enormous growth in computing power and communications that has brought the activity to the forefi-ont, turning it into a possible com­ ponent of any modem materials research program. Together with its increased role and visibility, there is also a dynamic change in the way computational modeling is perceived in such a vast field as materials science with its wide range of length and time scales. As the pace of materials research accelerates and the need for often inaccessible information continues to grow, the de­ mands and expectations on existing modeling techniques have progressed that much faster. Primarily because there is no one technique that can provide all the answers at every length and time scale in materials science, excessive expectations of computational materials modeling should be avoided if pos­ sible. While it is apparent that computational modeling is the most efficient method for dealing with complex systems, it shou
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How does a crystal grow? Experiments, models and simulations from the nano- to the micro-scale regiatonic solid looks the same from any vertex, and intuitively they appear as good candidates for atomic equilibrium shapes. A good example is the icosahedral (I.) particle that only shows {111} faces that produce a more rounded structure. Indeed, many studies report the I. as the most stable particle
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Structural and electronic properties from first-principles,ive, though not exhaustive, overview of the current status of first-principles calculations of materials. We categorize the different approaches using the local and orthogonal bases, and we discuss in some detail representative methods in each category. Finally, we offer some views on the strength a
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Synergy between material, surface science experiments and simulations,o properly describe, in a consistent manner, the varied phenomena that characterize each field of research. After a brief description of the thermodynamics of alloy formation and surface segregation in ordered and disordered alloys, model calculations combining the Monte Carlo method and suitable en
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Integration of first-principles calculations, calphad modeling, and phase-field simulations,ented in relation to an integrated framework for multi-scale materials simulation and design. We focus on microstructure evolutions of Ni-base superalloys starting from the generation of materials data needed for such simulations and their integration in terms of information flow and data processing
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Quantum approximate methods for the atomistic modeling of multicomponent alloys,accelerate materials design programs based on economical and efficient modeling techniques provides the framework for the introduction of approximations and simplifications in otherwise rigorous theoretical schemes. As a promising example of the role that such approximate methods might have in the d
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Multiscale modeling of intergranular fracture in metals,n-boundary sliding and fracture in an aluminum bicrystal model. A bilinear traction-displacement relationship that may be embedded into cohesive zone finite elements for microscale problems is extracted from the nanoscale molecular dynamics results.
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