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  • 1
    Electronic Resource
    Electronic Resource
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 84 (2001), S. 0 
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A kinetic, three-dimensional Monte Carlo model for simulating grain growth in the presence of mobile pores is presented. The model was used to study grain growth and pore migration by surface diffusion in an idealized geometry that ensures constant driving force for grain growth. The driving forces, pore size, and pore mobilities were varied to study their effects on grain-boundary mobility and grain growth. The simulations captured a variety of complex behaviors, including reduced grain-boundary velocity due to pore drag that has been predicted by analytical theories. The model is capable of treating far more complex geometries, including polycrystals. We present the capabilities of this model and discuss its limitations.
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  • 2
    Electronic Resource
    Electronic Resource
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 81 (1998), S. 0 
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The Potts Monte Carlo simulation was used to simulate microstructural evolution in uranium dioxide fuel rods. During service, grain growth, pore migration, and thermal segregation of the pores and UO2 occur in the rods in a thermal gradient. In this investigation, we developed a model which simulates simultaneous grain growth, pore migration, and thermal segregation of the pores and UO2 in a temperature gradient. Grain growth in a thermal gradient was simulated using the Monte Carlo Potts model technique developed by Anderson, Srolovitz, and co-workers. Pore migration was simulated using conserved dynamics with minimum-energy exchanges at a finite temperature. A temperature gradient was introduced into the model via interfacial mobility gradient. Finally, thermal segregation of the pores and UO2 was achieved by introducing a heat of migration term, ΔEt, which biased the motion of porosity to the high-temperature region. The development of this model is described and the incorporation of the proper physics of pore migration and thermal segregation is discussed.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 81 (1998), S. 0 
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A global energy minimization method for calculating inter granular fracture surfaces which minimize surface formation energy was developed using standard graph algorithms. The intergranular fracture of equiaxed, single-phase, polycrystalline grain structures was examined under a variety of energetic conditions. In energetically isotropic systems the minimum energy fracture surface has length 1.1 times the sample width independent of grain size. A criterion for fracture mode was derived for this case. Using a ball-and-spring model, local mechanical effects were found to increase fracture length by at most 5% in isotropic systems. The presence of typical low-energy, low-angle grain boundaries minimally affects intergranular fracture path, but may alter the preferred fracture mode. In systems with randomly dispersed, very weak boundaries (i.e., micro-cracks), fracture surfaces veer to follow low surface formation energy boundaries, resulting in tortuous, low-energy fracture paths, and intergranular fracture is strongly preferred.
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 94-96 (Jan. 1992), p. 141-158 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 1045-1050 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: In this paper we discuss the principles of a combined approach to solve the problem of solute drag as it occurs in microstructure evolution processes such as grain growth, recrystallization and phase transformation. A recently developed irregular grid cellular automaton is used to simulate normal grain growth, in which the energy of the grain boundaries is the driving force. A new, discrete diffusion model is used to simulate solute segregation to the grain boundaries. The local concentrationof the solute is then taken into account in the calculation of the local grain boundary mobility and/or grain boundary energy, thereby constituting a drag force. The relation between solute concentration and grain boundary mobility/energy is derived from molecular dynamics simulations
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 1039-1044 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: With the development of new, fully three-dimensional metallographic techniques, there is considerable interest in characterizing three-dimensional microstructures in ways that go beyond twodimensional stereology. One characteristic of grain structures is the surface of lowest energy across the microstructure, termed the critical manifold (CM). When the grain boundaries are sufficiently weak, theCM lies entirely on grain boundaries, while when the grain boundaries are strong, cleavage occurs. A scaling theory for the cleavage to intergranular transition of CMs is developed. We find that a critical length scale exists, so that on short length scales cleavage is observed, while at long length scales the CM is rough. CMs for realistic polycrystalline grain structures, determined by a network optimization algorithm, are used to verify the analysis
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  • 7
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 1033-1038 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: We compare the ability of three different types of microstructural model to simulateparticle pinning. The microstructural models are the Phase Field model, the Front Tracking model and the Monte Carlo Potts model. The same 3D test geometry is simulated using each method. This is an hexagonal network with spherical particles located at the centre of each hexagonal grain. The hexagonal grain network provides a constant driving force for a moving boundary and includes triple line and quadruple point motion. This geometry allows detailed investigation of the boundary/particle interaction. The pinning force acting on the migrating curved grain boundary is calculated and compared with theoretical predictions for each model
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  • 8
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 611-616 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The origin of the strain-free crystallites that nucleate the recrystallization process has been debated for decades. Realistic, three-dimensional computer simulations indicate that the nucleation event is the mobility-driven abnormal growth of certain subgrains. Based on these observations, we derive a model that incorporates subgrain topology, texture, boundary distribution and boundary properties to predict the frequency of the abnormal growth events that lead to nucleation. The qualitative and quantitative agreement between theory, simulation, and experiments is excellent
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  • 9
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 1019-1024 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: We describe a general approach to obtaining 3D microstructures as input to computer simulations of materials properties. We introduce a program called MicroConstructor, that takes 2D micrographs and generates 3D discrete computer microstructures which are statistically equivalent in terms of the microstructural variables of interest. The basis of the code is a genetic algorithm that evolves the 3D microstructure so that its stereological parameters match the 2D data. Since this approach is not limited by scale it can be used to generate 3D initial multiscale microstructures. This algorithm will enable microstructural modellers to use as their starting point, experimentally based microstructures without having to acquire 3Dinformation experimentally, a very time consuming and expensive process
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    s.l. ; Stafa-Zurich, Switzerland
    Materials science forum Vol. 467-470 (Oct. 2004), p. 641-646 
    ISSN: 1662-9752
    Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Because both nucleation and growth are local phenomena, recrystallization depends on the spatial distribution of strains in a plastically deformed polycrystal. Using a polycrystal plasticity finite element model, we calculated these distributions for equiaxed polycrystals of copper with a random texture. We incorporated the results into a mesoscale recrystallization simulation with a nucleation model based on subgrain evolution. The coupled simulation results indicate that differences in local structure cause significant differences in recrystallization kinetics and grain size distribution. Furthermore, recrystallization in non-uniformly deformedpolycrystals, even those with a random texture, is quantitatively and qualitatively different than predicted by continuum models that assume a uniform distribution of strains. This work highlights the need to examine all length scales relevant to the recrystallization process
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