Atomistic Simulations of Grain Boundary Pinning in CuFe Alloys PDF Download
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Author:
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Languages : en
Pages : 11
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Book Description
The authors apply a hybrid Monte Carlo-molecular dynamics code to the study of grain boundary motion upon annealing of pure Cu and Cu with low concentrations of Fe. The hybrid simulations account for segregation and precipitation of the low solubility Fe, together with curvature driven grain boundary motion. Grain boundaries in two different systems, a [Sigma]7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 11
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Book Description
The authors apply a hybrid Monte Carlo-molecular dynamics code to the study of grain boundary motion upon annealing of pure Cu and Cu with low concentrations of Fe. The hybrid simulations account for segregation and precipitation of the low solubility Fe, together with curvature driven grain boundary motion. Grain boundaries in two different systems, a [Sigma]7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%.
Author: Min Yan
Publisher:
ISBN:
Category :
Languages : en
Pages : 510
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Author: Bernd Schönfelder
Publisher:
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Category :
Languages : en
Pages : 234
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Author: Donald McLean
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Category : Technology & Engineering
Languages : en
Pages : 384
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Author:
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Category :
Languages : en
Pages : 13
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In this research project we carry out theoretical, computer modeling, studies of the atomic structure of grain boundaries in binary alloys. Both ordered and disordered alloys are investigated. The goal is to analyze those structural, chemical and electronic features that distinguish alloys from pure metals and are responsible for remarkably different intergranular fracture behavior of alloys when compared with pure metals. The most important phenomenon is, of course, segregation and related structural changes in the boundary region. When studying segregation phenomena copper-bismuth is a very suitable model system since bismuth segregation occurs readily, leads to boundary faceting and thus to remarkable changes in the boundary structure, as well as to a very strong embrittlement. Our recent research concentrated on the investigation of the structure of [Sigma] = 3 (111)/(11{bar 1}) facets formed during segregation from boundaries which were originally curved.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 13
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Book Description
In this research project we carry out theoretical, computer modeling, studies of the atomic structure of grain boundaries in binary alloys. Both ordered and disordered alloys are investigated. The goal is to analyze those structural, chemical and electronic features that distinguish alloys from pure metals and are responsible for remarkably different intergranular fracture behavior of alloys when compared with pure metals. The most important phenomenon is, of course, segregation and related structural changes in the boundary region. When studying segregation phenomena copper-bismuth is a very suitable model system since bismuth segregation occurs readily, leads to boundary faceting and thus to remarkable changes in the boundary structure, as well as to a very strong embrittlement. Our recent research concentrated on the investigation of the structure of? = 3 (111)/(11{bar 1}) facets formed during segregation from boundaries which were originally curved.
Author: Hongying Wang
Publisher:
ISBN:
Category :
Languages : en
Pages : 534
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Author:
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Category :
Languages : en
Pages : 34
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Book Description
Atomic structure and atomic level properties of grain boundaries in binary alloys have been studied theoretically. Both ordered and disordered alloys were investigated with the aim responsible for the physical and mechanical properties differing from pure metals. An integral part is atomic interactions. The first are the many-body potentials akin to the embedded atom method. The most important potentials for Cu-Bi which combined empirical data and ab initio electronic structure calculations to construct reliable potentials. LMTO based tight-binding method were developed fully for pure metals with future application alloys. Structural studies were carried out for disordered Cu-Bi and ordered Ni3Al and Cu3Au alloys. In the former case the investigation was linked with HREM, and result is solution of structure of [Sigma] = 3 (111)/(11{bar 1}) facets containing Bi formed during segregation from originally curved boundaries. In the latter case, effect of ordering strength and stoichiometry deviations the boundary structure was investigated. The most interesting finding is a very different behavior of Ni rich and Al rich Ni3Al which may explain why only Ni rich compounds can be ductilized by boron. In both cases the surplus element segregates to the boundaries.
Author: P. E. J. Flewitt
Publisher: Wiley
ISBN: 9780471979517
Category : Technology & Engineering
Languages : en
Pages : 0
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Book Description
Over recent years the understanding of grain boundaries, interphase boundaries and free surfaces has advanced greatly, leading to a clear recognition that these discontinuities make a significant contribution to the physical and mechanical properties of materials from multiphase metals and alloys to electronic materials. Grain Boundaries -Their Microstructure and Chemistry discusses the interrelationship between microstructure and chemistry of the grain boundary, with particular emphasis on the influence of the environment (air, liquid and liquid metal) and composition (bulk and impurity). This highly practical volume presents a brief background to interphase and grain boundaries, before considering in detail grain boundary composition and composition changes, and how grain boundary composition affects material properties. Very recent advances in techniques such as electron energy loss spectroscopy, high-resolution transmission electron microscopy and atom probe, and the facinating new insights into grain boundary, microstructure that they have revealed, are also discussed. Grain Boundaries - Their Microstructure and Chemistry is an indispensable text for design and safety engineers in many industries, including power and aerospace, as well as for materials scientists and engineers in academia and research institutes.
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Languages : en
Pages :
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This paper presents the results of atomistic studies of grain boundaries in NiAl B2 alloy. The interatomic forces are described by Finnis-Sinclair type N-body potentials, and are fitted to properties of NiAl. The results show that the structure, energy and cohesive strength of a grain boundary depend strongly on its chemical configurations, and a grain boundary with surplus of Al is the weakest. Energies of antisite defects at the grain boundary [Sigma]5 (210) are also calculated, and the results suggest that Al has much larger tendency to segregate at a grain boundary than Ni does.
