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Author
Title Structure-property linkages for polycrystalline materials using materials knowledge systems
URL
Publication Date
Date Accessioned
Degree PhD
Discipline/Department Mechanical Engineering
Degree Level doctoral
University/Publisher Georgia Tech
Abstract Computational tools that are capable of rapidly exploring candidate microstructures and their associated properties are required to accelerate the rate of development and deployment of novel materials. In this work, a suite of computationally efficient protocols, based on the materials knowledge system (MKS) framework, are developed to evaluate the properties and performance of polycrystalline microstructures. In the MKS approach, physics-capturing coefficients (calibrated with microstructures and their responses obtained via experiments or simulations) store the microstructure-sensitive response of the material system of interest. Once calibrated, the linkages may be employed to predict the local responses (through localization) or effective properties (through homogenization) of new microstructures at low computational expense. Specifically, protocols are developed to predict bulk properties (elastic stiffness and yield strength), local cyclic plastic strains and resistance to fatigue crack formation and early growth (in the high cycle fatigue and transition fatigue regimes). These protocols are demonstrated on a diverse set of α-titanium microstructures, which exhibit heterogeneous microstructure features, in addition to anisotropy on multiple length-scales.
Subjects/Keywords Microstructure; Structure-property relationship; Polycrystalline; Titanium alloys; High cycle fatigue; Transition fatigue; Yield strength; Elastic modulus; Data science; Materials informatics; High-throughput; 2-point correlations; Computational model; Crystal plasticity; Reduced-order model; Extreme value statistics
Contributors Kalidindi, Surya R. (advisor); McDowell, David L. (committee member); Shih, Donald S. (committee member); Neu, Richard W. (committee member); Garmestani, Hamid (committee member)
Language en
Country of Publication us
Record ID handle:1853/60113
Repository gatech
Date Indexed 2020-05-13
Issued Date 2017-05-05 00:00:00
Note [degree] Ph.D.;

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…121 6.1 Schematic summary of the protocols employed to calibrate an MKS homogenization linkage for the characterization of transition fatigue performance in polycrystalline microstructures. . . . . . . . . . . . . 129 6.2 Example SVEs and…

…Statistical Volume Element S-P Structure-Property xii SUMMARY Computational tools that are capable of rapidly exploring candidate microstructures and their associated properties are required to accelerate the rate of development and deployment of novel…

…materials. In this work, a suite of computationally efficient protocols, based on the materials knowledge system (MKS) framework, are developed to evaluate the properties and performance of polycrystalline microstructures. In the MKS approach…

…The structure-property (S-P) linkage may then be calibrated using an ensemble of reduced-dimensional microstructure representations and their associated effective properties as obtained via experiments or previously-validated physics-based…

…been extended to processing-structure [28–30] and processingstructure-properties [27] linkages. In the MKS localization framework, microstructure response fields are predicted through the convolution of localization kernels (…

…evolution through spinoidal-decomposition in binary alloys [16, 26], and elastic strain fields in cubic and hexagonal polycrystalline microstructures [21, 23]. The overarching goal of this work is to develop protocols to predict the…

…performance of polycrystalline microstructures in forms well suited to materials design and development efforts. Attainment of this goal requires the extension of the MKS framework in several regards. In polycrystalline materials, the local material state in…

…functional components over the orientation space. It is demonstrated that this approach produces computationally-efficient, highly-compact representations of reduced-order S-P linkages for polycrystalline microstructures (specifically through the…

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