2012 Diffusion Workshop Presentation

Presentations From the NIST 2012 Diffusion Workshop

Opening Remarks and Welcome

• Welcome Presentation - 10th NIST Diffusion Workshop (Frank Gayle, Metallurgy Division Chief)

Why is Multicomponent Diffusion Data Important for Materials Design: The Need

• Design of high-strength Aluminum alloy castings – A case study on the importance of multicomponent diffusion to materials design (Abhijeet Misra, Questek Innovations)
• Integrated computational materials engineering for light metals applications (A. Luo, General Motors)
• Heat Treating Industry Diffusion Data Needs Discussion (Lead by John Morral, Ohio State, and Mohammed Maniruzzaman, Caterpillar)
• Routes for Rapid Synthesis of Photovoltaic Absorber Materials: The Need for Diffusion Data (T. Anderson, U Florida)
• Update on Materials Simulation and the Promotion of Global Databases Activities within the World Materials Research Institute Forum (WMRIF) (A. Grische, BAM, Bundesanstalt für Materialforschung)
• Data Repositories for Diffusion Data and Calculations: Will This Work? (C. Campbell, U. Kattner, B. Burton, E. Lass, NIST and L. Bartolo, Kent State)

How Can We Get the Needed Data: Experimental Methods

• Temperature induced transitions of the grain boundary structure studied by radiotracer diffusion (S. Divinski, U. Münster)
• Diffusion Studies in Mg-Al-Zn (N. Kulkarni, B. Warmack, J. Mundy, ORNL)
• Thermodynamics and Correlation Effects on Diffusion in Al-Ni Melts. (A. Grische, BAM, Bundesanstalt für Materialforschung)
• Oxidation and diffusion in oxides – a progress report (J. Agren, KTH)
• Extracting Chemical Diffusion Coefficients from Multi-Phase Binary Diffusion Paths(Qiaofu Zhang; J-C Zhao, Ohio State Univ.)
• The rms error of ternary diffusivities from one diffusion couple (John Morral, Ohio State)

How Can We Get the Needed Data: Calculation Methods

• High-Throughput and Ab Initio Molecular Dynamics approaches for Developing Alloy Diffusion Databases (with an Application to Radiation Induced Segregation in Ni-Cr Alloys) ( D. Morgan, U. Wisconsin)
• First-principles calculation of diffusion coefficients in magnetic systems: Ni, Cr, and Ni-X alloys (C. Zacherl, Penn State)
• First-Principle Calculations of Diffusion of 5d transition elements in Fe (Kevin Ding, Berkeley)
• Understanding non-dilute diffusion within fcc: the case of Ni rich alloys (A. Van der Ven, U. Michigan)
• Effect of a grain boundary structural transformation on grain boundary diffusion: A molecular dynamics study (T. Frolov, Berkeley and Y. Mishin, George Mason)
• Discussion on the Limitations of the Currently Used Pseudo-Potential Approach (P. Turchi, LLNL)

What We Can Do With the Data to Meet the Materials Designer Needs

• Diffusion and redistribution at moving interfaces (I. Steinbach, ICAMS)
• Formation of complex interdiffusion microstructures in mulitphase diffusion couples: effect of atomic mobility (Xiaoqin Ke, John Morral and Yunzhi Wang; Ohio State U)