Preface
ix
• Physics-Based Multi-scale Model Development: The development of imagebased micromechanical computational models with morphological and crystallographic details is discussed. The models represent dominant deformation
and failure mechanisms at each scale. Comprehensive methods of identifying
representative volume elements (RVEs) based on microstructure and materials
response or properties are detailed. Associated boundary conditions for RVEs
with non-uniform microstructures are derived. Hierarchical multi-scale models
for connecting mechanisms at different scales are discussed. Spatial scales
encompass atomistic scales, mesoscales of coarse-grained models and discrete
dislocations, and microscales of polyphase and polycrystalline microstructures.
• Experimental Methods for Constitutive Models and Failure Processes: Novel
experiments for aiding the development of computational models, with information on mechanisms and data for calibration and validation are addressed.
Experiments characterize relevant properties and microstructural responses over
a range of operating conditions.
• Probabilistic Modeling and Uncertainty Quantification: This discusses probabilistic models accounting for stochastic distributions of materials microstructure
and properties.
The relations between microstructural morphology, crystallography, and
mechanisms to the materials response at different scales are investigated.
This book is a collection of 14 chapters that discuss aspects of ICME developments, ranging from physics-based multi-scale computational methods to experimental data acquisition and uncertainty quantification. The first eight chapters deal
with experiments and modeling of polycrystalline alloys, with a focus on Ni-based
superalloys. Chapter 1 details methods of 3D microstructural data acquisition for
predicting monotonic and cyclic properties of superalloys. It provides information
on the distribution of important structural features, namely, precipitates, annealing
twins and grains. Data structures and workflow tools for generating and analyzing
materials data in an ICME context are discussed in Chap. 2. Chapter 3 details fundamental aspects of statistically equivalent virtual microstructures and microstructure
and property-based statistically equivalent representative volume elements (MSERVE and P-SERVE) of Ni-based superalloys at multiple scales. The two specific
scales considered are the sub-grain scale of intragranular γ − γ microstructures
and the polycrystalline scale of grain ensembles with annealing twins. Chapter 4
provides an overview of micro-tensile experiments and characterizations for the
superalloy Ren´ e 88DT. A computational micromechanics model of the polycrystalline superalloys application to Inconel 718 is presented in Chap. 5. A combination
of simulations and tests, together with computational homogenization strategies,
is used to predict the mechanical behavior of these superalloys. A comparison
of deterministic and non-deterministic calibration methods for crystal plasticity
model parameters is made in Chap. 6. Chapter 7 reports on the soft-coupled linkage
between a macroscale damage model and mesoscale calculations of a suite of
polycrystal instantiations of tantalum. A macroscale model is used to represent a
ix
• Physics-Based Multi-scale Model Development: The development of imagebased micromechanical computational models with morphological and crystallographic details is discussed. The models represent dominant deformation
and failure mechanisms at each scale. Comprehensive methods of identifying
representative volume elements (RVEs) based on microstructure and materials
response or properties are detailed. Associated boundary conditions for RVEs
with non-uniform microstructures are derived. Hierarchical multi-scale models
for connecting mechanisms at different scales are discussed. Spatial scales
encompass atomistic scales, mesoscales of coarse-grained models and discrete
dislocations, and microscales of polyphase and polycrystalline microstructures.
• Experimental Methods for Constitutive Models and Failure Processes: Novel
experiments for aiding the development of computational models, with information on mechanisms and data for calibration and validation are addressed.
Experiments characterize relevant properties and microstructural responses over
a range of operating conditions.
• Probabilistic Modeling and Uncertainty Quantification: This discusses probabilistic models accounting for stochastic distributions of materials microstructure
and properties.
The relations between microstructural morphology, crystallography, and
mechanisms to the materials response at different scales are investigated.
This book is a collection of 14 chapters that discuss aspects of ICME developments, ranging from physics-based multi-scale computational methods to experimental data acquisition and uncertainty quantification. The first eight chapters deal
with experiments and modeling of polycrystalline alloys, with a focus on Ni-based
superalloys. Chapter 1 details methods of 3D microstructural data acquisition for
predicting monotonic and cyclic properties of superalloys. It provides information
on the distribution of important structural features, namely, precipitates, annealing
twins and grains. Data structures and workflow tools for generating and analyzing
materials data in an ICME context are discussed in Chap. 2. Chapter 3 details fundamental aspects of statistically equivalent virtual microstructures and microstructure
and property-based statistically equivalent representative volume elements (MSERVE and P-SERVE) of Ni-based superalloys at multiple scales. The two specific
scales considered are the sub-grain scale of intragranular γ − γ microstructures
and the polycrystalline scale of grain ensembles with annealing twins. Chapter 4
provides an overview of micro-tensile experiments and characterizations for the
superalloy Ren´ e 88DT. A computational micromechanics model of the polycrystalline superalloys application to Inconel 718 is presented in Chap. 5. A combination
of simulations and tests, together with computational homogenization strategies,
is used to predict the mechanical behavior of these superalloys. A comparison
of deterministic and non-deterministic calibration methods for crystal plasticity
model parameters is made in Chap. 6. Chapter 7 reports on the soft-coupled linkage
between a macroscale damage model and mesoscale calculations of a suite of
polycrystal instantiations of tantalum. A macroscale model is used to represent a