Hume-Rothery Symposium: Accelerated Measurements and Predictions of Thermodynamics and Kinetics for Materials Design and Discovery: Session I
Sponsored by: TMS Structural Materials Division, TMS: Alloy Phases Committee
Program Organizers: Wei Xiong, University of Pittsburgh; Shuanglin Chen, CompuTherm LLC; Wei Chen, University At Buffalo; James Saal, Citrine Informatics; Greta Lindwall, KTH Royal Institute of Technology
Monday 8:30 AM
March 15, 2021
Room: RM 35
Location: TMS2021 Virtual
Session Chair: Wei Xiong, University of Pittsburgh
8:30 AM
Introductory Comments: Hume-Rothery Symposium: Accelerated Measurements and Predictions of Thermodynamics and Kinetics for Materials Design and Discovery: Wei Xiong1; 1University of Pittsburgh
Introductory Comments
8:35 AM Keynote
William Hume-rothery Award Lecture: High-throughput Measurements of Composition-dependent Properties of Alloy Phases for Accelerated Alloy Design: Ji-Cheng Zhao1; 1University of Maryland
This talk will highlight recent advances in high-throughput measurements of alloy phase diagrams and phase-based properties. Diffusion multiples offer an efficient means to determine alloy phase diagrams via local equilibrium analysis at phase interfaces. Micron-resolution property measurements on composition gradients created in diffusion multiples allow effective collection of composition-dependent properties such as conductivity and elastic constants. A forward-simulation analysis allows accurate measurement of both impurity (dilute) diffusion and interdiffusion coefficients for the establishment of reliable diffusion (mobility) databases. Dual-anneal diffusion multiples (DADMs) allow rapid collection of large and systematic datasets on phase precipitation kinetics and morphological evolution across wide ranges of compositions as a function of time and temperature. Such datasets will be very valuable to testing and improving models. Examples will be used to illustrate the effectiveness and future essentiality of tight integration of computational and experimental approaches to rapidly establish digital materials property databases for accelerated alloy design.
9:20 AM Invited
Combinatorial Design of High-entropy Alloys: Dierk Raabe1; Zhiming Li2; 1Max-Planck Institute; 2Central South University
High-entropy alloys with multiple principal elements span a sheer infinite compositional space for new materials. Probing this huge material universe requires the use of combinatorial and high-throughput synthesis and processing methods, coupled to combinatorial simulations. Here, we present different combinatorial experimental and theoretical methods that can help to accelerate the development of novel high-entropy alloys. More specific we present combinatorial alloy design via bulk-scale rapid alloy prototyping, laser additive manufacturing, combinatorial co-deposition of thin-film materials libraries and associated ab-initio-based rapid combinatorial screening.
10:00 AM Invited
Emerging Capabilities for the High-throughput Characterization of Structural Materials: Daniel Miracle1; 1Air Force Research Laboratory
The rate at which societies move forward is linked to the rate of change in materials. Combinatorial and high-throughput (CHT) methods for characterizing new materials have played a central role in accelerating the rate of materials advances in the past several decades. These methods have been used most often in the chemistry, biology and pharmaceutical fields, and more recently for improved functional materials. CHT methods have barely been used to develop new structural materials due to major challenges offered by the dominant influence of microstructure and length scale on relevant properties. This presentation will discuss an emerging convergence in computational, experimental and data analytic methods that offer enabling new capabilities for accelerated discovery and development of structural materials.
10:40 AM Invited
Genomic Materials Design: From CALPHAD Data to Flight: Gregory Olson1; 1MIT
Sixty years of academic collaboration and thirty years of commercialization by a network of small businesses have delivered a mature technology of computational materials design and accelerated qualification grounded in the CALPHAD system of fundamental databases now known as the Materials Genome. Two computationally designed aircraft landing gear steels have already been taken to full flight qualification employing this technology. The announcement in 2011 by the US President of a national Materials Genome Initiative acknowledging the reality of this technology has spurred global interest and rapid adoption by US apex corporations. Designed materials with broad market impact now span a range from consumer electronics to space exploration. A focus of current design research is the integration of high-throughput theoretical and experimental techniques to rapidly expand the genomic-level data foundation of science-based materials engineering.
11:20 AM Invited
Design of Cobalt Base Superalloys for 3D Printing: Sean Murray1; Kira Pusch1; Michael Kirka2; Ning Zhou3; Stephane Forsik3; Tresa Pollock1; 1University of California, Santa Barbara; 2Oak Ridge National Laboratory; 3Carpenter Technology Corp
Additive manufacturing promises a major transformation of the production of high economic value metallic materials, enabling innovative, geometrically complex designs with minimal material waste. The overarching challenge is to design alloys that are compatible with the unique additive processing conditions while maintaining material properties sufficient for the challenging environments encountered in energy, space, and nuclear applications. Here we describe a new class of high strength 3D printable superalloys containing approximately equal parts of Co and Ni along with Al, Cr, Ta and W that possess strengths in excess of 1.1 GPa in as-printed and post-processed forms and tensile ductilities of greater than 13 % at room temperature. These alloys are amenable to crack-free 3D printing via electron beam melting (EBM) with preheat as well as selective laser melting (SLM) with limited preheat. The status of computational and experimental design tools that have guided compositional development will be described.