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James E. Saal, Ph.D. - Publications

Affiliations: 
2010 Pennsylvania State University, State College, PA, United States 
Area:
Materials Science Engineering, Condensed Matter Physics, Inorganic Chemistry
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32 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Emery AA, Saal JE, Kirklin S, Hegde VI, Wolverton C. High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications Chemistry of Materials. 28: 5621-5634. DOI: 10.1021/acs.chemmater.6b01182  0.68
2016 Saal JE, Wolverton C. Energetics of antiphase boundaries in γ′ Co3(Al,W)-based superalloys Acta Materialia. 103: 57-62. DOI: 10.1016/j.actamat.2015.10.007  0.68
2016 Kirklin S, Saal JE, Hegde VI, Wolverton C. High-throughput computational search for strengthening precipitates in alloys Acta Materialia. 102: 125-135. DOI: 10.1016/j.actamat.2015.09.016  0.68
2015 Issa A, Saal JE, Wolverton C. Formation of high-strength β ′ precipitates in Mg-RE alloys: The role of the Mg/β ″ interfacial instability Acta Materialia. 83: 75-83. DOI: 10.1016/j.actamat.2014.09.024  0.68
2015 Saal JE, Orlov D. Overview: Age-Hardenable Microalloying in Magnesium Jom. 67: 2425-2426. DOI: 10.1007/s11837-015-1585-3  0.68
2014 Meredig B, Agrawal A, Kirklin S, Saal JE, Doak JW, Thompson A, Zhang K, Choudhary A, Wolverton C. Combinatorial screening for new materials in unconstrained composition space with machine learning Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.094104  0.68
2014 Ji YZ, Issa A, Heo TW, Saal JE, Wolverton C, Chen LQ. Predicting β′ precipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling Acta Materialia. 76: 259-271. DOI: 10.1016/j.actamat.2014.05.002  0.68
2014 Issa A, Saal JE, Wolverton C. Physical factors controlling the observed high-strength precipitate morphology in Mg-rare earth alloys Acta Materialia. 65: 240-250. DOI: 10.1016/j.actamat.2013.10.066  0.68
2014 Saal JE, Wolverton C. Thermodynamic stability of Mg-based ternary long-period stacking ordered structures Acta Materialia. 68: 325-338. DOI: 10.1016/j.actamat.2013.10.055  0.68
2014 Singh A, Saal JE. Dynamic properties of magnesium alloys Jom. 66: 275-276. DOI: 10.1007/s11837-013-0844-4  0.68
2013 Grindy S, Meredig B, Kirklin S, Saal JE, Wolverton C. Approaching chemical accuracy with density functional calculations: Diatomic energy corrections Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.075150  0.68
2013 Saal JE, Wolverton C. Thermodynamic stability of Co-Al-W L12 γ′ Acta Materialia. 61: 2330-2338. DOI: 10.1016/j.actamat.2013.01.004  0.68
2013 Saal JE, Kirklin S, Aykol M, Meredig B, Wolverton C. Materials design and discovery with high-throughput density functional theory: The open quantum materials database (OQMD) Jom. 65: 1501-1509. DOI: 10.1007/s11837-013-0755-4  0.68
2012 Saal JE, Wolverton C. Thermodynamic stability of Mg-Y-Zn long-period stacking ordered structures Scripta Materialia. 67: 798-801. DOI: 10.1016/j.scriptamat.2012.07.013  0.68
2012 Saengdeejing A, Saal JE, Manga VR, Liu ZK. Defects in boron carbide: First-principles calculations and CALPHAD modeling Acta Materialia. 60: 7207-7215. DOI: 10.1016/j.actamat.2012.09.029  0.68
2012 Saal JE, Wolverton C. Solute-vacancy binding of the rare earths in magnesium from first principles Acta Materialia. 60: 5151-5159. DOI: 10.1016/j.actamat.2012.06.016  0.68
2011 Wang Y, Saal JE, Shang SL, Hui XD, Chen LQ, Liu ZK. Effects of spin structures on Fermi surface topologies in BaFe 2As2 Solid State Communications. 151: 272-275. DOI: 10.1016/j.ssc.2010.12.012  0.68
2011 Kim D, Saal JE, Zhou L, Shang S, Du Y, Liu ZK. Thermodynamic modeling of fcc order/disorder transformations in the CoPt system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 35: 323-330. DOI: 10.1016/j.calphad.2011.04.005  0.68
2011 Wang Y, Saal JE, Wu P, Wang J, Shang S, Liu ZK, Chen LQ. First-principles lattice dynamics and heat capacity of BiFeO3 Acta Materialia. 59: 4229-4234. DOI: 10.1016/j.actamat.2011.03.047  0.68
2010 Saal JE, Shang S, Wang Y, Liu ZK. Magnetic phase transformations of face-centered cubic and hexagonal close-packed Co at zero Kelvin. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 096006. PMID 21389433 DOI: 10.1088/0953-8984/22/9/096006  0.68
2010 Saal JE, Wang Y, Shang S, Liu ZK. Thermodynamic properties of Co3O4 and Sr6Co5O15 from first-principles. Inorganic Chemistry. 49: 10291-8. PMID 20942434 DOI: 10.1021/ic100835a  0.68
2010 Saal JE, Shin D, Stevenson AJ, Messing GL, Liu ZK. First-principles thermochemistry and thermodynamic modeling of the Al 2O3-Nd2O3-SiO2-Y 2O3 pseudoquaternary system Journal of the American Ceramic Society. 93: 4158-4167. DOI: 10.1111/j.1551-2916.2010.03993.x  0.68
2010 Wang Y, Wang JJ, Saal JE, Shang SL, Chen LQ, Liu ZK. Phonon dispersion in Sr2RuO4 studied by a first-principles cumulative force-constant approach Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.172503  0.68
2010 Wang Y, Saal JE, Wang JJ, Saengdeejing A, Shang SL, Chen LQ, Liu ZK. Broken symmetry, strong correlation, and splitting between longitudinal and transverse optical phonons of MnO and NiO from first principles Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.081104  0.68
2010 Shang SL, Saal JE, Mei ZG, Wang Y, Liu ZK. Magnetic thermodynamics of fcc Ni from first-principles partition function approach Journal of Applied Physics. 108. DOI: 10.1063/1.3524480  0.68
2010 Manga VR, Saal JE, Wang Y, Crespi VH, Liu ZK. Magnetic perturbation and associated energies of the antiphase boundaries in ordered Ni3Al Journal of Applied Physics. 108. DOI: 10.1063/1.3513988  0.68
2010 Wang Y, Saal JE, Mei Z, Wu P, Wang J, Shang S, Liu ZK, Chen LQ. A first-principles scheme to phonons of high temperature phase: No imaginary modes for cubic SrTiO3 Applied Physics Letters. 97. DOI: 10.1063/1.3505338  0.68
2008 Saal JE, Shin D, Stevenson AJ, Messing GL, Liu ZK. First-principles calculations and thermodynamic modeling of the Al 2O3-Nd2O3 system Journal of the American Ceramic Society. 91: 3355-3361. DOI: 10.1111/j.1551-2916.2008.02618.x  0.68
2008 Shin D, Saal JE, Liu ZK. Thermodynamic modeling of the Cu-Si system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 32: 520-526. DOI: 10.1016/j.calphad.2008.05.003  0.68
2007 Saal JE, Shang S, Liu ZK. The structural evolution of boron carbide via ab initio calculations Applied Physics Letters. 91. DOI: 10.1063/1.2818661  0.68
2007 Saengdeejing A, Saal JE, Wang Y, Liu ZK. Effects of carbon in MgB2 thin films: Intrinsic or extrinsic Applied Physics Letters. 90. DOI: 10.1063/1.2717569  0.68
2007 Zhang H, Saal J, Saengdeejing A, Wang Y, Chen LQ, Liu ZK. Enthalpies of formation of magnesium compounds from first-principles calculations Magnesium Technology. 345-350. DOI: 10.1016/j.intermet.2009.03.017  0.68
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