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Author: National Aeronautics and Space Administration (NASA) Publisher: Createspace Independent Publishing Platform ISBN: 9781721010752 Category : Languages : en Pages : 52
Book Description
The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.Bozzolo, Guillermo and Ferrante, John and Noebe, Ronald D. and Good, Brian and Honecy, Frank S. and Abel, PhillipGlenn Research CenterMETAL SURFACES; THIN FILMS; SURFACE STABILITY; ALLOYS; SEPARATION; MONTE CARLO METHOD; NICKEL ALUMINIDES
Author: National Aeronautics and Space Administration (NASA) Publisher: Createspace Independent Publishing Platform ISBN: 9781721010752 Category : Languages : en Pages : 52
Book Description
The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.Bozzolo, Guillermo and Ferrante, John and Noebe, Ronald D. and Good, Brian and Honecy, Frank S. and Abel, PhillipGlenn Research CenterMETAL SURFACES; THIN FILMS; SURFACE STABILITY; ALLOYS; SEPARATION; MONTE CARLO METHOD; NICKEL ALUMINIDES
Author: Publisher: Elsevier ISBN: 0080542123 Category : Technology & Engineering Languages : en Pages : 553
Book Description
DescriptionSurface Alloys and Alloy Surfaces is concerned with the structural, compositional, electronic and chemical properties of the surfaces of solids in which the surface layers, at least are alloyed. Two different categories of system are covered - the surfaces of bulk alloys (alloy surfaces) and surface phases in which one or more outermost atomic layers are alloyed, while the underlying bulk involves no such intermixing (surface alloys).Importance of TopicThe surfaces of bulk alloys have long been known to be of practical interest for their chemical properties. It has also long been known that the surface composition of such alloys commonly differs from that of the underlying bulk. However, our understanding of these chemical and physical phenomena is far from complete and the application of surface science methods to investigate these phenomena is a manifestation of a general trend to study the surfaces of increasing complexity. Surface alloy formation, as a much more recently recognized phenomenon deserves more attention.Why This TitleThis title is important as it provides new insights into a mixture of new and old problems. It is the first to cover the important mixture of material on surface alloys and alloy surfaces. Each chapter is written by experts in different areas of these two interrelated topics, covering theory and experiment, physics and chemistry, geometrical and electronic structure. The coverage of the surface alloy topic is especially novel as it is relatively newly-recognised as quite a common phenomenon.
Author: Peter A. Dowben Publisher: CRC Press ISBN: 9780849368936 Category : Technology & Engineering Languages : en Pages : 444
Book Description
The purpose of this book is to discuss the phenomena associated with the segregation of one element in a multicomponent material. It describes the kinetics of segregation and contains a tabular summary of the pros and cons of the various models. The easy-to-read chapters outline in detail the macroscopic approach and provide an in-depth review of broken-bond models. This comprehensive informative resource also addresses important multicomponent systems. These systems include metals with non-metallic constituents, semiconductor-metal interfaces, steels and steel-related alloys, and real catalysts. Readers of this text will gain a good fundamental understanding and overview of surface, interfacial, and selvedge segregation. Those who have an interest in physics, vacuum science, material science, and chemical, mechanical, and electrical engineering will benefit from this imperative work.
Author: Bharat Bhushan Publisher: CRC Press ISBN: 0849377870 Category : Technology & Engineering Languages : en Pages : 1760
Book Description
Recent research has led to a deeper understanding of the nature and consequences of interactions between materials on an atomic scale. The results have resonated throughout the field of tribology. For example, new applications require detailed understanding of the tribological process on macro- and microscales and new knowledge guides the rational
Author: Stefan T. Bromley Publisher: Elsevier ISBN: 0081022751 Category : Science Languages : en Pages : 354
Book Description
Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications
Author: National Aeronautics and Space Administration (NASA)
Author: National Aeronautics and Space Administration (NASA)
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Author: Peter A. Dowben
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Author: Bharat Bhushan
Author: J. D. E. McIntyre
Author: Stefan T. Bromley
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