Advanced Characterization, Testing, and Simulation Committee

Technical Programming

2019 TMS Annual Meeting & Exhibition: Characterization of Materials through High Resolution Imaging: Organized by Ross Harder; Richard Sandberg; Xianghui Xiao; Brian Abbey; Saryu Fensin; Ana Diaz; Mathew Cherukara

Objective: This symposium will provide a venue for presentations regarding the use of coherent diffraction imaging techniques (x-ray and electron diffraction imaging, ptychography, holography) and phase contrast imaging techniques for high-resolution characterization in all classes of materials. Additionally, modeling and simulation methods that are relevant to nanoscale imaging techniques will be included. Background and Rationale: A high degree of spatial coherence is an attractive property in x-ray and electron beams. Those from modern synchrotrons and electron microscopes have enabled the development of novel imaging methods. In some cases, these imaging methods provide resolution beyond that achieved with optics and can also provide remarkable sensitivity to a variety of contrast mechanisms. The two methods that will be the focus of this symposium are coherent diffractive imaging (CDI) and phase contrast imaging (PCI) with both x-rays and electrons. Both explicitly take advantage of the coherence properties of the incident beams. CDI has rapidly advanced in the last fifteen years to allow characterization of a broad range of materials, including nanoparticles, strained crystals, biomaterials and cells. PCI has been widely employed in dynamics and engineering studies of materials, geophysics, medicine and biology. Various techniques making use of both x-rays and electrons have been developed that provide unique characterization abilities such as three-dimensional strain mapping and non-destructive three-dimensional quantitative tomographic imaging. Increasingly, materials modeling at the atomistic and continuum scales is being used in conjunction with these imaging techniques to enhance their capability. Such combined imaging and modeling methods include building experimentally informed models, which are in turn used to make predictions at spatio-temporal scales inaccessible to the imaging technique, and the use of deep learning algorithms trained on synthetic data. These pre-trained deep learning algorithms are being used to improve the quality of acquired x-ray data, reduce experimental measurement times and also reduce compute time required to recover 3D images from raw data. Areas of interest include, but are not limited to: (1) All x-ray based techniques including Bragg CDI, Fresnel CDI, ptychographic CDI, propagation phase contrast imaging, interferometry imaging, and analyzer based phase-contrast imaging (2) All electron based techniques including ptychography and electron CDI (3) Computational and simulation efforts with overlap in high resolution imaging. (4) Big data analytics and machine learning methods to accelerate data abstraction and improve image quality (4) All structural and functional materials systems needing high resolution imaging (5) Industrial applications (6) Development of new techniques and new sources Logistics: This is a growing field and does not have a large presence at TMS. We had great success with our first three symposiums. The first held in 2013 in San Antonio and the second in 2015 in Orlando then again in 2017 in San Diego with great international responses. In 2017 the symposium grew to two full days (four sessions). We plan on continuing this direction with at least a four-session symposium.

2019 TMS Annual Meeting & Exhibition: Thermo-mechanical Response of Materials Investigated through Novel in-situ Experiments and Modeling: Organized by Saurabh Puri; Robert Wheeler; Dongchan Jang; Amit Pandey; Josh Kacher; Dhriti Bhattacharyya

The focus of this symposium is to discuss current research and key developments in theory, computational and experimental methods to study and predict the thermo-mechanical properties of materials in application-orientated environments. These environments may include, but are not limited to high temperature, cryogenic temperature, electrical and magnetic field, gas, radiation, chemical, pressure extremes, and humidity. In-situ mechanical testing using SEM, TEM, AFM, Raman, synchrotron, X-ray, IR, and FTIR observation techniques during testing are becoming increasingly popular for studying mechanical behavior of materials. Many such techniques have been developed to probe material response to stimuli across nano- to macro-length scales. At the same time, significant progress has been made in the development of high fidelity models to analyze the behavior of materials at different spatial and temporal scales. The intent of the symposium is to provide a forum for researchers from national laboratories, academia, and industry to discuss research progress in the area of in operando and/or in-situ mechanical testing for nanomechanical studies, advances in computational approaches and most importantly, integration of experiments and modeling to accelerate the development and acceptance of innovative materials and testing techniques. Topics include: • Development of instruments and experimental methodology for in-situ techniques and/or testing at non-ambient conditions. • Imaging and analytical techniques to correlate microstructure, defects, crystal orientation, and strain field with mechanical properties. • Microstructural observations using in-situ techniques across length scales. • Experimental characterization and multiscale modeling of deformation of high-temperature materials, high-strength materials, thin films, 1D, 2D, and other low-dimension nanostructures, and interfaces. • Uncertainty quantification and quantitative validation of computational models.

2018 TMS Annual Meeting & Exhibition: Advanced Characterization Techniques for Quantifying and Modeling Deformation: Organized by Rodney McCabe; Thomas Bieler; Marko Knezevic; Irene Beyerlein; Wolfgang Pantleon; C. Tasan

This symposium will provide a venue for presentations regarding the use of advanced characterization techniques in all classes of materials to quantify and model deformation mechanisms. Background and Rationale: Advances in characterization technology have greatly improved our ability to quantify deformation mechanisms such as dislocations, twinning, and stress induced phase transformations, and the microstructural changes accompanying deformation such as texture evolution, grain morphology changes, and localized strain. A variety of relatively new techniques are being applied to both structural and functional materials. These techniques, in combination with modeling, are improving our understanding of deformation and failure during material processing/forming and under normal or extreme conditions in service. In situ techniques are also providing enhanced understanding of individual mechanism interactions and direct validation of plasticity models. This gathering provides a place to talk about new advances in current techniques or in technique development as they apply to deformation. Areas of interest include, but are not limited to: (1) Dislocations, deformation twins, and stress induced phase transformations (2) All advanced X-Ray-based techniques (3) All advanced electron-based techniques including HR-(S)TEM, EBSD, HR-EBSD, PED, and in situ TEM (4) All structural and functional materials systems (5) Advances in material modeling through the use of advanced characterization techniques (6) Industrial applications (7) Technique development

2018 TMS Annual Meeting & Exhibition: Advanced Real Time Optical Imaging: Organized by Jinichiro Nakano; David Alman; Il Sohn; Hiroyuki Shibata; Antoine Allanore

Real time observations can provide important information needed to understand materials behavior, as these techniques can provide valuable insights on mechanisms free from artifacts induced from conventional experimental techniques. Emerging optical imaging techniques are comparatively inexpensive methods that allow such observations. Methods, such as confocal laser microscopy, can be enhanced with capabilities that enable heating and cooling, controlled atmospheres, and application of stresses; and can be used to generate real time thermodynamic and kinetic data needed to study a variety of materials and processes, such as phase transformation, oxidation, corrosion, etc. In-vivo fluorescence methods can be used to provide essential information on the behavior of biomaterials. This symposium intends to encompass a broad range of materials science topics to enable and promote cross-cutting opportunities for multiple disciplines (biomaterials, energy materials, functional materials, structural materials, etc.). Papers are solicited on technique development, as well as, on the application of these methods to materials science and engineering. Topics include, but not limited to: - In-situ, in-operando, in-vitro, and in-vivo observation techniques, such as confocal laser microscopes, thermal imaging furnace, and other optical techniques. - Confocal techniques, including fluorescence and reflection types, which may be equipped with capabilities such as heating/cooling chambers, gas chambers, mechanical testing, Raman spectroscope, and FTIR. - Other optical microscopic or telescopic methods include hot thermocouple, resistance heating, and sessile drop techniques used for high temperature phenomena. - Thermodynamic and kinetic data from these techniques, useful for phase diagram constructions, oxidation/corrosion modeling, phase formation kinetics studies, etc. - Findings of studies on interrogation of materials by these techniques.

2018 TMS Annual Meeting & Exhibition: Atom Probe Tomography for Advanced Characterization of Metals, Minerals and Materials: Organized by Haiming Wen; Simon Ringer; Gregory Thompson; Arun Devaraj; Keith Knipling; Gang Sha; David Seidman; Chantal Sudbrack

Atom probe tomography (APT), is an emergent characterization technique that is capable of determining the chemical identity of each individual atom and generating 3D chemical maps imaging the distribution of individual atoms. The technique offers high spatial resolution (better than 0.3 nm achievable in all directions) and high analytical sensitivity (as good as 1 appm). APT provides information on elemental composition of the specimen, 3D visualization of distribution of atoms, composition of phases, morphology and size of precipitates, and solute distribution across interfaces, at grain boundaries and along dislocations. In many APT analyses, crystallographic information has been retained within the data, with the potential to directly relate the composition of specific microstructural features to their crystallography with unprecedented sensitivity and resolution. APT can be utilized in many different fields for advanced imaging and analysis of metals, minerals and materials, despite some limitations. This symposium is designed to bring together scientists, engineers and technicians from across disciplines to discuss the technique of APT, its applications and limitations. The symposium will encompass research and applications spanning a wide variety of topics. Presentations on experimental, theoretical, and modeling research are solicited. Topics for this symposium include, but are not limited to:  Applications of APT in advanced characterization of metals, minerals and materials  3D reconstruction and data analysis  Impact of specimen and instrument parameters and optimization of acquisition conditions  Specimen preparation techniques  Limitations of APT  Progress in APT technique  Correlative techniques

2018 TMS Annual Meeting & Exhibition: Coupling Experiments and Modeling to Understand Plasticity and Failure: Organized by Michael Sangid; Philip Eisenlohr; Matthew Miller; Paul Shade

This symposium celebrates new discoveries and advances in the exploration of the mechanical behavior of polycrystalline metals and alloys, while emphasizing a strong coupling between experiments and modeling approaches to address these problems. The deformation of solids – even under nominally “uniform” loading conditions - often involves gradients, due to various heterogeneities in the microstructure and anisotropic single crystal properties that govern mechanical behavior. Over the past decade, the application of advanced tools for the interrogation of materials at the mesoscale (aggregate of individual crystals) is revolutionizing mechanics. Concurrently, simulations have benefited from increased computational power, which enables the role of the microstructure in the mechanical behavior of solids to be captured and predicted with high accuracy and fidelity. The central theme of the symposium is a strong coupling between modeling and experiments; to accentuate this theme, we target research with the objective: (i) simultaneous modeling/experimental approaches, (ii) experiments that elucidate the need for specific models, (iii) modeling approaches to down-select the need for experimental testing, and (iv) modeling raw characterization data to reconstruct mechanical behavior. The research addressed in this symposium has direct implications in accelerating advanced materials discovery and deployment, in concurrence with the Materials Genome Initiative and Integrated Computational Materials Science and Engineering. The main topics of the symposium are as follows: - Individual and collective behavior of dislocations in dislocation mediated plasticity - Grain interactions, leading to evolution of intra- and inter-granular stress and orientation heterogeneities - Mesoscale performance response, including yield, strain hardening, fatigue, fracture, and creep The symposium will offer 3-4 half-day sessions, and each session will have a strong integration between experimentalists and modelers. An effort will be made to schedule adjacent talks for collaborators working on the same project, to show synergy amongst techniques. To supplement these efforts and to enhance student involvement, this symposium will also offer a poster session following this theme, integration of poster presentations within the main sessions, and a prize for best student poster.

2018 TMS Annual Meeting & Exhibition: Fatigue in Materials: Fundamentals, Multiscale Modeling and Prevention: Organized by Ashley Spear; Jean-Briac le Graverend; Antonios Kontsos; Tongguang Zhai

This symposium features new discoveries and advances in the fields of materials fatigue and life prediction. It brings together research scientists and design engineers from all over the world to present their latest work on current issues in investigation and simulation of fatigue damage; identification of fatigue weak links; enhancement of fatigue strength and resistance; quantitative relationships among processing, microstructure, environment and fatigue properties; and life prediction. This symposium provides a platform for fostering new ideas about development of microstructure-based models to quantify the total life (including fatigue crack initiation and early growth) of a material.

2018 TMS Annual Meeting & Exhibition: Non-equilibrium Features of Grain Boundaries: Organized by Liang Qi; Yue Fan; Josh Kacher; Elizabeth Holm; Irene Beyerlein; Shigenobu Ogata

The interfacial regions separating different grains in polycrystalline materials, while occupying only a small fraction of total volume, largely control the system’s properties, including mechanics, mass/heat transfer, radiation resistance, etc. The misorientation angle has been widely used to describe the structures of grain boundaries (GBs), but only a few types of GBs (i.e. with low energy and some special “coincidence number” Σ) are well understood at the current stage. In reality given the large variety of possible geometries, the higher disorder levels at interfaces, and their different responses to external stimuli, global equilibrium is rarely achieved in GBs of polycrystalline materials. In contrast, the large scale of non-equilibrium metastable states and the thermodynamics and kinetics therein play decisive roles in determining the GBs’ properties and their microstructural evolutions. This symposium aims to accelerate the development of new concepts and methodologies in effectively describing GBs. The role of disorders at interfaces, the broad distributions of energies and activation barriers, and their interplays with complex surrounding environments will be particularly focused. Both experimental and theoretical (including modeling and simulation) studies are encouraged. The topics of interest to this symposium include, but are not limited to, the following: - Energetics and activation barriers spectra in materials with high level of disorder (e.g. grain boundaries, amorphous states, etc) - Non-equilibrium thermodynamics and metastabilities of grain boundaries - Novel experimental and theoretical techniques for microstructural characterization of interfaces - Interactions between interfaces and extrinsic defects (e.g. dislocations, point defects, impurities, etc) and their mechanical consequences - Grain boundary kinetics and phase transformations at different external stimuli (e.g. mechanical loading, temperature variation, irradiation, etc)

2018 TMS Annual Meeting & Exhibition: Thermo-mechanical Response of Materials with Special Emphasis on In-situ Techniques: Organized by Amit Pandey; Sanjit Bhowmick; Jeffrey Wheeler; Mar�a Teresa P�rez Prado; Dongchan Jang; Robert Wheeler; Josh Kacher

The focus of this symposium is to discuss current research and key developments in techniques and experimental methods to measure thermo-mechanical properties of materials in-situ and ex-situ in application-orientated environments. These environments may include, but are not limited to high temperature, cryogenic temperature, electrical and magnetic field, gas, radiation, chemical, pressure extremes, and humidity. In situ mechanical testing using SEM, TEM, AFM, Raman, synchrotron, X-ray, IR, and FTIR observation techniques during testing are becoming increasingly popular for studying mechanical behavior of materials. Many such techniques have been developed to probe material response to stimuli across nano- to macro-length scales. The intent of the symposium is to provide a forum for researchers from national laboratories, academia, and industry to discuss research progress in the area of in operando and/or in-situ mechanical testing for nanomechanical studies, and to accelerate the development and acceptance of innovative materials and testing techniques. Topics include: 1. Development of instruments and experimental methodology for in-situ techniques and/or testing at non-ambient conditions. 2. Mechanics of deformation of high-temperature materials, high-strength materials, thin films, 1D, 2D, and other low-dimension nanostructures, and interfaces. 3. Imaging and analytical techniques to correlate microstructure, defects, crystal orientation, and strain field with mechanical properties. 4. Microstructural observations using in situ techniques across length scales.