Publications in 2019

Y. Wang, Y. Shi, Z. Zhang, C. Carlos, C. Zhang, K. Bhawnani, J. Li, J. Wang, P. M. Voyles, I. Szlufarska, X. Wang
Bioinspired two-dimensional growth of monocrystalline oxide nanosheets
Chemistry of Materials, 31, 9040-9048, (2019) (Journal Pub)

H. Luo, H. Sheng, H. Zhang, F. Wang, J. Fan, J. Du, P. Liu, I. Szlufarska
Plasticity without dislocations in a polycrystalline intermetallic
Nature Communications, 10, 3857, (2019) (Journal Pub)

X. Yin, Y. Wang, R. Jacobs, Y. Shi, I. Szlufarska, D. Morgan, X. Wang
Massive vacancy concentration yields strong room-temperature ferromagnetism in two-dimensional ZnO
Nano Letters, 19, 7085-7092, (2019) (Journal Pub)

J. Hwang, Z. Feng, N. Charles, X. R. Wang, D. Lee, K. A. Stoerzinger, S. Muy, R. R. Rao, D. Lee, R. Jacobs, D. Morgan, Y. Shao-Horn
Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity
Materials Today, 31, 100-118, (2019) (Journal Pub)

X. Nie, P. Chien, D. Morgan, A. Kaczmarowski
A statistical method for emulation of computer models With invariance-preserving properties, with application to structural energy prediction
Journal of the American Statistical Association, 0, 1-14, (2019) (Journal Pub)

S. Lee, H. Xu, H. Xu, R. Jacobs, D. Morgan
Valleyite: A new magnetic mineral with the sodalite-type structure
Journal of Earth and Planetary Materials, 104, 9, 1238-1245, (2019) (Journal Pub)

H. -J. Lu, N. Zou, R. Jacobs, B. Afflerbach, X. -G. Lu, D. Morgan
Error assessment and optimal cross-validation approaches in machine learning applied to impurity diffusion
Computational Materials Science, (2019) (Journal Pub)

K. Tian, Z. Li, N. N. Gosvami, D. L. Goldsby, I. Szlufarska, R. W. Carpick
Memory distance for interfacial chemical bond-induced friction at the nanoscale
ACS Nano, 13, 7, 7425-7434, (2019) (Journal Pub)

J. -H. Ke, E. R. Reese, E. A. Marquis, G. R. Odette, D. Morgan
Flux effects in precipitation under irradiation – Simulation of Fe-Cr alloys
Acta Materialia, 164, 586-601, (2019) (Journal Pub)

M. Arjmand, C. Benjamin, I. Szlufarska
Analytical elastoplastic analysis of heteroepitaxial core-shell nanowires
AIP Advances, 9, 055119, (2019) (Journal Pub)

C. Liu, J. Xi, I. Szlufarska
Sensitivity of SiC grain boundaries to oxidation
The Journal of Physical Chemistry C, 123, 11546-11554, (2019) (Journal Pub)

S. Shu, P. B. Wells, G. R. Odette, D. Morgan
A kinetic lattice Monte Carlo study of post-irradiation annealing of model reactor pressure vessel steels
Journal of Nuclear Materials, 524, 312-322, (2019) (Journal Pub)

S. Jin, H. Xu, X. Wang, D. Zhang, R. Jacobs, D. Morgan
The incommensurately modulated structures of volcanic plagioclase: displacement, ordering and phase transition
Acta Crystallographica Section B, 75, 643-656, (2019) (Journal Pub)

N. Almirall, P. B. Wells, H. Ke, P. Edmondson, D. Morgan, T. Yamamoto , G. R. Odette
On the elevated temperature thermal stability of nanoscale Mn-Ni-Si precipitates formed at lower temperature in highly irradiated reactor pressure vessel steels
Scientific Reports, 9, 9587, (2019) (Journal Pub)

V. Nilsen, L. T. Pham, M. Hibbard, A. Klager, S. M. Cramer, D. Morgan
Prediction of concrete coefficient of thermal expansion and other properties using machine learning
Construction and Building Materials, 220, 687-595, (2019) (Journal Pub)

H. Chen, S. Zhou, D. Morgan, V. Prakapenka, E. Greenberg, K. Leinenweber, S. -H. Shim
The O–O bonding and hydrogen storage in the pyrite-type PtO2
Inorganic Chemistry, (2019) (Journal Pub)

Y. -C. Liu, B. Afflerbach, R. Jacobs, S. -K. Lin, D. Morgan
Exploring effective charge in electromigration using machine learning
MRS Communications, 1-9, (2019) (Journal Pub, Data, arXiv)

J. Hwang, Z. Feng, N. Charles, X. R. Wang, D. Lee, K. A. Stoerzinger, S. Muy, R. R. Rao, D. Lee, R. Jacobs, D. Morgan, Y. Shao-Horn
Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity
Materials Today, (2019) (Journal Pub)

J. J. de Pablo, N. E. Jackson, M. A. Webb, L. -Q. Chen, J. E. Moore, D. Morgan, R. Jacobs, T. Pollock, D. G. Schlom, E. S. Toberer, J. Analytis, I. Dabo, D. M. DeLongchamp, G. A. Fiete, G. M. Grason, G. Hautier, Y. Mo, K. Rajan, E. J. Reed, E. Rodriguez, V. Stevanovic, J. Suntivich, K. Thornton, J. -C. Zhao
New frontiers for the materials genome initiative
npj Computational Materials, 5, 41, (2019) (Journal Pub)

R. Jacobs, G. Luo, D. Morgan
Materials Discovery of Stable and Nontoxic Halide Perovskite Materials for High-Efficiency Solar Cells
Advanced Functional Materials, 29, 23, 1804354, (2019) (Journal Pub, arXiv)

Y. Cao, M. J. Gadre, A. T. Ngo, S. B. Alder, D. Morgan
Factors controlling surface oxygen exchange in oxides
Nature Communications, 10, 1346, (2019) (Journal Pub, Editors’ Highlights, Press: UW, WORT)

A. H. Combs, J. J. Maldonis, J. Feng, Z. Xu, P. M. Voyles, D. Morgan
Fast Approximate STEM Image Simulations from a Machine Learning Model
Advanced Structural and Chemical Imaging, 5, 2, (2019) (Journal Pub, SI Data)

R. Jacobs, J. Hwang, Y. Shao-Horn, D. Morgan
Assessing correlations of perovskite catalytic performance with electronic structure descriptors
Chemistry of Materials, 31, 785-797, (2019) (Journal Pub, arXiv)

J. J. Maldonis, Z. Xu, Z. Song, M. Yu, T. Mayeshiba, D. Morgan, P. M. Voyles
StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies
Computational Materials Science, 160, 1-8, (2019) (Journal Pub, arXiv)

J. Xi, H. Jiang, C. Liu, D. Morgan, I. Szlufarska
Corrosion of Si, C, and SiC in molten salt
Corrosion Science, 146, 1-9, (2019) (Journal Pub, arXiv)