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James E. Saal, Ph.D.

Affiliations: 
2010 Pennsylvania State University, State College, PA, United States 
Area:
Materials Science Engineering, Condensed Matter Physics, Inorganic Chemistry
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Zi-Kui Liu grad student 2010 Penn State
 (Thermodynamic modeling of phase transformations and defects: From cobalt to doped cobaltate perovskites.)

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Publications

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Antono E, Matsuzawa NN, Ling J, et al. (2020) Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole Conducting Organic Materials. The Journal of Physical Chemistry. A
Scully JR, Inman SB, Gerard AY, et al. (2020) Controlling the corrosion resistance of multi-principal element alloys Scripta Materialia. 188: 96-101
Lu P, Saal JE, Olson GB, et al. (2019) Computational design and initial corrosion assessment of a series of non-equimolar high entropy alloys Scripta Materialia. 172: 12-16
Li T, Swanson OJ, Frankel G, et al. (2019) Localized corrosion behavior of a single-phase non-equimolar high entropy alloy Electrochimica Acta. 306: 71-84
Lu P, Saal JE, Olson GB, et al. (2018) Computational materials design of a corrosion resistant high entropy alloy for harsh environments Scripta Materialia. 153: 19-22
Saal JE, Berglund IS, Sebastian JT, et al. (2018) Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling Scripta Materialia. 146: 5-8
Wang D, Amsler M, Hegde VI, et al. (2018) Crystal structure, energetics, and phase stability of strengthening precipitates in Mg alloys: A first-principles study Acta Materialia. 158: 65-78
Peters MC, Doak JW, Saal JE, et al. (2018) Using First-Principles Calculations in CALPHAD Models to Determine Carrier Concentration of the Binary PbSe Semiconductor Journal of Electronic Materials. 48: 1031-1043
Furmanchuk A, Saal JE, Doak JW, et al. (2017) Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach. Journal of Computational Chemistry
Peters M, Doak J, Zhang W, et al. (2017) Thermodynamic modeling of the PbX (X=S,Te) phase diagram using a five sub-lattice and two sub-lattice model Calphad. 58: 17-24
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