ICME

Technical Programming

2019 TMS Annual Meeting & Exhibition: Additive Manufacturing: Materials Design and Alloy Development: Organized by Behrang Poorganji; James Saal; Hunter Martin; Orlando Rios

Additive manufacturing technologies are revolutionizing not only modern component design but also materials design and evolution across many industries. Conventional alloys are designed based on constraints of conventional materials processing and manufacturing technologies such as casting, forging and hot rolling or sheet metal forming. Additive manufacturing technologies however, providing different freedom and limitation in alloy design and development. Direct Metal Laser Melting (DMLM), Electron Beam Melting (EBM), and Direct Energy Disposition (DED) processes are fundamentally working based on the solid to liquid, and liquid to solid phase transformations in each process layer. However, the unique solidification conditions during these processes have made expanding current conventional alloys to Additive Manufacturing difficult, and made the introduction of new designed materials a technology challenge. Difficulties of interest include hot tearing and solidification cracking, secondary deleterious phase formation, porosity and vaporization, melt-pool stability, etc. Understanding the materials responses and behavior as well as the phase transformation phenomenon in these processes are the key and crucial concepts to the adoption of these additive manufacturing methods. The goal of this symposium is to highlight research in two major materials development categories with a focus on how a fundamental understanding of the thermodynamic and kinetic boundary conditions, as well as using ICME approaches, and Artificial Intelligence enable introducing new alloy systems for additive manufacturing. Technical sessions emphasizing the two major following categories: (1) Existing alloys adapted to / modified for additive manufacturing (2) New / Novel alloys designed for additive manufacturing Both experimental and modelling submissions are encouraged, especially in which modelling or theory is applied and validated experimentally. Materials systems of interests are including but not limited to structural materials, different types of Steels, Aluminum, Titanium, Nickle, Cobalt, and Copper, High Entropy alloys, and Bulk Metallic Glasses. Submission in the area of functional materials for AM will also be considered.

2019 TMS Annual Meeting & Exhibition: Algorithm Development in Materials Science and Engineering: Organized by Mohsen Asle Zaeem; Garritt Tucker; Prasanna Balachandran; Douglas Spearot; Charudatta Phatak; Srinivasan Srivilliputhur

As computational approaches to study the science and engineering of materials become more mature, it is critical to develop and improve techniques and algorithms that leverage ever-expanding computational resources. These algorithms can impact areas such as: data acquisition and analysis from sophisticated microscopes and state-of-the-art light source facilities, analysis and extraction of quantitative metrics from numerical simulations of materials behavior, and the ability to leverage specific computer architectures for revolutionary improvements in simulation analysis time, power, and capability. This symposium solicits abstract submissions from researchers who are developing new algorithms and/or designing new methods for performing computational research in materials science and engineering. Session topics include, but are not limited to: - Advancements that enhance modeling and simulation techniques such as density functional theory, molecular dynamics, Monte Carlo simulation, dislocation dynamics, phase-field modeling, CALPHAD, and finite element analysis, - New techniques for simulating the complex behavior of materials at different length and time scales, - Computational methods for analyzing results from simulations of materials phenomena, and - Approaches for data mining, machine learning, high throughput databases, high throughput experiments, and extracting useful insights from large data sets of numerical and experimental results.

2019 TMS Annual Meeting & Exhibition: Fatigue in Materials: Multi-scale and Multi-environment Characterizations and Computational Modeling: Organized by Jean-Briac le Graverend; Ashley Spear; Antonios Kontsos; Garrett Pataky; Filippo Berto

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 fatigue at different scales and in different environments both theoretically, numerically, and experimentally. The symposium will be organized into six sessions: • Data-Driven Investigations of Fatigue • Relationships Among Processing, Microstructure, and Fatigue Properties • Fatigue Characterization Using Advanced Experimental Methods in 2D and 3D • Load and Environment Interaction Effects on the Mechanical Response during Fatigue • Multi-Scale and Multi-Physics Models in Fatigue to better Predict Behavior and Lifetime • Crack Initiation and Propagation during Fatigue The proposed six sessions will be carried out over three full days, with morning and afternoon sessions each day. Throughout the six sessions, there will be an estimated 50 oral presentations, with 2-4 of those being keynote presentations. Additionally, a poster session will be held to supplement the oral presentations and to encourage student involvement. Students may submit an abstract for a poster presentation, an oral presentation, or both. Prizes for best posters will be awarded. A possible edited volume of extended articles on select topics discussed in this symposium will be evaluated during the meeting.

2019 TMS Annual Meeting & Exhibition: Gamma (FCC)/Gamma-Prime (L12) Co-Based Superalloys III: Organized by Michael Titus; David Dye; Eric Lass; Katelun Wertz; Christopher Zenk

The report of a stable \\947;’-L12 phase in the ternary Co-Al-W system in 2006 has given rise to significant research on a new class of precipitation strengthened alloys, analogous to Ni-based superalloys which are often utilized in high temperature turbine engine components. Since the initial discovery, a myriad of Co- and CoNi-based alloy compositions have been developed with proposed applications ranging from high pressure turbine blades to compressor disks. However, significant challenges still exist for commercial transition of these new alloys, including increasing the \\947;’-solvus, improving oxidation resistance, characterizing fatigue resistance, and establishing processing windows. This symposium continues in the tradition of the first two TMS symposia on \\947;-\\947;’ Co-based superalloys (held in 2014 and 2017) to bring together the growing community of researchers involved with developing \\947;’ -strengthened Co-based superalloys for high temperature and other applications. Experimental and computational investigations on Co- and CoNi-based alloys�that�focus�on understanding materials response, use ICME-based�approaches,�or�aid in rapid alloy development will be highlighted. Topics of interest include: strategies for increasing the \\947;’ solvus temperature, improving environmental resistance, evaluating high temperature mechanical performance, assessing phase stability and phase transformation mechanisms, and advancing processing methods of these promising new materials.

2019 TMS Annual Meeting & Exhibition: ICME Case Studies and Validation: Extreme Environments : Organized by James Saal; Mark Carroll; Xuan Liu; Dongwon Shin; Laurent Capolungo

This symposium focuses on ICME case studies and experimental validation of materials for extreme environments. We are seeking abstracts in the following general topic areas, including but not limited to: \\176; Developing and validating ICME approaches for material design, manufacturing process development (including advanced manufacturing techniques), mechanical behavior (e.g., tensile and creep), and environmental performance (e.g., corrosion and/or oxidation resistance). \\176; Performing critical experiments to fill knowledge gaps for physics-based, mechanistic process-structure-property models, elucidating the relationship between environment and the evolution of microstructure. \\176;Developing methods to expedite verification and validation testing of materials for extreme environments and relevant performance models under representative extreme environments. \\176; Demonstrate how this approach can be applied to novel alloys (e.g., high entropy alloys), critical alloy systems (e.g., Ni-based alloys), coatings, novel extreme environments (e.g., supercritical CO2), and/or novel product forms (e.g., thin sheet materials). The proposed four sessions will be carried out over two full days, with morning and afternoon sessions each day. Throughout the four sessions, we anticipate about 30 oral presentations, with 4-8 of those being keynote presentations.

2019 TMS Annual Meeting & Exhibition: ICME Education in Materials Science and Mechanical Engineering: Organized by Wei Xiong; Michele Manuel; Danielle Cote; Mohsen Asle Zaeem; Krista Limmer

ICME has been marked as the essential method for materials discovery and design, which promotes the materials innovations in engineering applications. After ten years of ICME concept published by National Research Council, it is worth reviewing the ICME education efforts that have been made at universities, national labs and industry. The symposium provides a platform to share experience of different universities and companies, who have put a considerable amount of efforts in the past on ICME education. This mini-symposium will be invited talks only. The invited talks will be presented by the experienced educators in the field of ICME research. It is expected that such a mini-symposium will stimulate more ideas for the ICME education at different educational levels. The topics cover but not limited to: (1) undergraduate education program; (2) graduate research related to ICME; (3) outreach of ICME, including industrial education; (4) Software development for the ICME educational purposes. A panel discussion session will be arranged to encourage more interactions between speakers and audiences with stimulated thoughts/ideas.

2018 TMS Annual Meeting & Exhibition: Algorithm Development in Materials Science and Engineering: Organized by Mohsen Asle Zaeem; Mark Tschopp; Jonathan Zimmerman; Ebrahim Asadi; Mark Horstemeyer

As computational approaches to study the science and engineering of materials becomes more vital, it is critical to develop and improve techniques and algorithms that leverage ever-expanding computational resources. These algorithms can impact areas such as: data acquisition and analysis from sophisticated microscopes and other types of laboratory equipment, analysis and extraction of critical quantitative metrics from numerical simulations of materials behavior, and the ability to leverage specific computer architectures for revolutionary improvements in simulation analysis time, power, and capability. This symposium solicits abstract submissions from researchers who are developing new algorithms and/or designing new methods for performing computational research in materials science and engineering. Session topics include, but are not limited to: - Advancements that enhance modeling and simulation techniques such as density functional theory, molecular dynamics, Monte Carlo simulation, dislocation dynamics, phase-field modeling, and finite element analysis, - New techniques for simulating the complex behavior of materials at different length and time scales, - Computational methods for analyzing results from simulations of materials phenomena, and - Approaches for data mining, machine learning, high throughput databases, and extracting useful information from large data sets of numerical results.

2018 TMS Annual Meeting & Exhibition: Building an ICME Infrastructure: Developing Tools that Integrate Across Length and Time Scales to Accelerate Materials Design: Organized by Carelyn Campbell; Mark Carroll; Adam Hope; Hojun Lim; Myoung-Gyu Lee; Amy Clarke; Dongwon Shin

The goal of Integrated Computational Materials Engineering (ICME) is to enable the optimization of materials, manufacturing and component design by integrating computational models and experimental results in a holistic approach. Critical to achieving this goal is the development of computational tools and infrastructure to enable the integration across multiple length and time scales and a wide variety of data inputs. Over the past 10 years, ICME has been successfully applied to a variety of industries, including automotive, aerospace, and marine industries, for specific material classes or applications. While the ultimate vision for ICME is the seamless transition between relevant scales and the rapid progression from discovery to deployment, advancements in ICME approaches continue to reveal technology gaps that encumber more widespread utilization. The proposed symposium will take a unique approach to highlighting two critical ICME elements, (1) the evolution and assessment of technology gaps in ICME approaches applied to high-temperature structural materials, and (2) the tools and infrastructure developments that have bridged length and time scales and/or integrated computational tools and experimental outputs to accelerate materials design and manufacturing. The introductory sessions of the symposium on gap analysis will be an invitation-only session that highlights ICME needs from a historical perspective, the envisioned future areas of focus, and the advancements that are addressing the identified gaps for high-temperature structural materials . The second set of sessions are open to all speakers that are engaged in the development of ICME tools and infrastructure. Specific topics of interest are: • Quantitative tools for microstructure evolution that can be used to optimize manufacturing process (e.g. rolling, extrusion) or predict materials properties (i.e. fracture, fatigue, and/or corrosion behavior in service) • Integration of computational tools with experimental data • Integration of property prediction tools with component performance tools • Integration of computational tools and experimental data with uncertainty analysis • Materials Informatics-based approaches for data integration and the concurrent consideration of descriptors • Validation and verification tools and methods for linking simulations with experiments • Integration tools and methods for linking processing-structure-property relationships • Collaboration platforms enabling data and tool sharing. The ability to develop the tools that integrate across the process-structure-property paradigm are essential to the continuing the ICME success to accelerate materials design and manufacturing. Practical developments that are specific to industrial applications in the automotive, aerospace, marine, electronic and biomedical sectors are strongly encouraged.

2018 TMS Annual Meeting & Exhibition: Coupling Advanced Characterization and Modeling Tools for Understanding Fundamental Phase Transformation Mechanisms: An MPMD Symposium in Honor of Hamish Fraser: Organized by Gregory Thompson; Sudarsanam Babu; Peter Collins; Soumya Nag; Rajarshi Banerjee

In celebration of Professor Hamish Fraser’s 70th birthday and his career-long achievements in the fields of phase transformations, microstructure-structure property relationships, and advanced electron microscopy, this symposium aims to bring together experts in each area to address current and developing topics in these respective fields. The symposium of invited talks will cover a broad spectrum of advanced characterization and modeling tools that are available today which are being employed for addressing fundamental phase transformation mechanisms. In particular, the symposium will have dedicated sessions that emphasize phase transformations in non-ferrous alloys, such as Ti-base alloys and intermetallics, areas in which Prof. Fraser has made pioneering contributions. Other sessions will address phase transformation issues at different length scales, both in bulk and in nanostructured materials, and the use of advanced electron microscopy to reveal the underlying mechanisms of phase stability and transformation pathways in these materials.

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: Hume-Rothery Award Symposium: Computational Thermodynamics and Its Implications to Kinetics, Properties, and Materials Design: Organized by Suveen Mathaudhu; Michael Gao; Chelsey Hargather; Richard Hennig; James Saal; Dongwon Shin

Thermodynamics is a science concerning the state of a system when interacting with the surroundings. Computational thermodynamics enables quantitative calculations of thermodynamic properties as a function of both external conditions and internal configurations and empowers the new materials research paradigm of integrated computational prediction and experimental validation approaches. The central constituent of computational thermodynamics is the modeling of the thermodynamic description of individual phases in the complete space of external and internal degrees of freedom. Over the past 40 years, the CALPHAD modeling of thermodynamics has proven to be a successful approach applicable to complex multicomponent materials. Integration with first-principles calculations based on density functional theory, which is capable of predicting electronic structures of atomic interactions, have further significantly enhanced the efficiency and robustness of thermodynamic modeling. Computational thermodynamics plays a central role in materials design, integrated computational materials engineering (ICME), and the Materials Genome Initiative (MGI). Two important contributions of computational thermodynamics are to predict the phase stability of a system under given conditions and provide driving forces for internal processes in a system so the evolution of such internal processes can be quantitatively simulated. Furthermore, as first and second derivatives of the free energy with respect to system variables, many physical properties can be calculated such as thermal expansion and elastic properties. Additionally, through the mapping of the energy landscape in the framework of computational thermodynamics, a broad range of properties can be predicted and modeled such as diffusion coefficients, interfacial energy, and dislocation mobility. Applications of these new capabilities include improvements in the understanding of atomic interactions and the role of alloy elements and trace additions on phase stability and phase transformation behavior; improvement of existing materials for enhanced performance; and the design and development of new materials for an optimal combination of properties. The focus of this symposium is to assess the state of the art in computational thermodynamics for predictions and modeling capabilities and to identify the key steps needed to make further progress. Abstracts are invited which contribute to the above themes with critical appraisals of the strengths and weaknesses of various approaches for specific properties and applications. Case studies involving the use of computational thermodynamics to study practical problems are welcomed along with studies involving both advanced experimental work and state-of-the-art modeling approaches. Submission of abstracts to the Hume-Rothery Symposium is by invitation only.

2018 TMS Annual Meeting & Exhibition: Integrative Materials Design III: Performance and Sustainability: Organized by Diana A. Lados; Brad Boyce; Corbett Battaile; Anastasios Gavras

The challenges in modern materials design revolve around the successful integration of several important and sometimes competing concepts such as Performance and Reliability, Sustainability and Societal Impact, and Economics. The first category, Performance and Reliability, involves familiar but complex design requirements: strength/ductility; fatigue, fatigue crack growth, impact, and creep resistance; and high-temperature properties. In addition to these traditional design requirements, an increasingly important consideration in an environmentally conscious world is the Sustainability and Societal Impact of the materials/processes and end products. These “Fit- Function-Green” attributes are finally tempered by Economics, as the best material for a given application may not be economically feasible in terms of either raw materials and processing costs or recyclability. Sustainable material-process-component design and reduced energy consumption throughout the life-cycle require an increased use of recycled materials as well as recyclability of the end product, and necessitate simultaneous and compatible design and materials selection. The integration further continues within each of these main areas via consistent and connective multi-disciplinary and multi-scale approaches. This context generates fertile opportunities for the ingenious materials engineer to develop a holistic approach in which experimental, analytical, and computational knowledge is coupled with suitable and sustainable application-driven design and manufacturing strategies, ultimately leading to a final component with the right balance between performance, manufacturability, sustainability, and affordability. This symposium will address these aspects in the context of needs and developments, focusing on important factors that contribute to material-process-component design, performance, and sustainability. Prospective topics include (and are not limited to) fundamental developments and design considerations related to: (1) effects of traditional and novel bulk and surface processes on micro-/nano-structure evolution of materials (e.g. Cast and Wrought Alloy Processing, Additive Manufacturing, Cold Spray Technology, Gradient and Functional Materials Fabrication, Friction Stir Welding/Processing, Metal Matrix (nano)Composites, Shot/Laser-Shock/Ultrasonic/Cavitation Peening, Low Plasticity Burnishing, etc.), (2) multi-scale microstructural effects on the behavior of materials (i.e., static properties, fatigue, fatigue crack growth, thermo-mechanical fatigue, impact, high-temperature properties and creep) and their integration in design, (3) interfacial and residual stress effects (both surface and bulk – measurement, effects on properties and life, and design approaches), (4) advanced material/behavior characterization methods (e.g. DIC, EBSD, tomography, and other in-situ and ex-situ methods), (5) testing advances and non-destructive evaluation techniques for damage detection and monitoring, (6) advances in Integrated Computational Materials Engineering (ICME) related to microstructure and properties simulation and prediction, and (7) sustainable approaches to material-process-component design, life-cycle analyses, and recycling considerations. A student poster competition will be held; to be considered for this competition, select "Student Poster" as your presentation type below.