Publications in 2021

36
M. P. Polak, R. Kudrawiec, R. Jacobs, I. Szlufarska, D. Morgan
Modified band alignment method to obtain hybrid functional accuracy from standard DFT: Application to defects in highly mismatched III-V:Bi alloys
Physical Review Materials, 5, 124601, (2021) (Journal Pub, arXiv)

35
X.-G. Li, B. Blaiszik, M. E. Schwarting, R. Jacobs, A. Scourtas, K. J. Schmidt, P. M. Voyles, D. Morgan
Graph network based deep learning of bandgaps
Journal of Chemical Physics, 155, 154702, (2021) (Journal Pub)

34
A. M. Awe, M. M. Vanden Heuvel, T. Yuan, V. R. Rendell, M. Shen, A. Kampani, S. Liang, D. D. Morgan, E. R. Winslow, M. G. Lubner
Machine learning principles applied to CT radiomics to predict mucinous pancreatic cysts
Abdominal Radiology, (2021) (Journal Pub)

33
M. P. Polak, D. Morgan
MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions
Computational Materials Science, 193, 110281, (2021) (Journal Pub, arXiv)

32
T. Ma, R. Jacobs, J. Booske, D. Morgan
Discovery and engineering of low work function perovskite materials
Journal of Materials Chemistry C, 9, 12778-12790, (2021) (Journal Pub)

31
B. T. Afflerbach, L. Schultz, J. H. Perepezko, P. M. Voyles, I. Szlufarska, D. Morgan
Molecular simulation-derived features for machine learning predictions of metal glass forming ability
Computational Materials Science, 199, 110728, (2021) (Journal Pub, arXiv)

30
T. Ma, R. Jacobs, J. Booske, D. Morgan
Work Function Trends and New Low-Work-Function Boride and Nitride Materials for Electron Emission Applications
Journal of Physical Chemistry C, (2021) (Journal Pub)

29
K. G. Field, R. Jacobs, M. Shen, M. Lynch, P. Patki, C. Field, D. Morgan
Development and Deployment of Automated Machine Learning Detection in Electron Microcopy Experiments
Microscopy and Microanalysis, 27(S1), 2136-2137, (2021) (Journal Pub)

28
M. Shen, G. Li, D. Wu, Y. Liu, J. R. C. Greaves, W. Hao, N. J. Krakauer, L. Krudy, J. Perez, V. Sreenivasan, B. Sanchez, O. Torres-Velázquez, W. Li, K. G. Field, D. Morgan
Multi defect detection and analysis of electron microscopy images with deep learning
Computational Materials Science, 199, 110576, (2021) (Journal Pub, arXiv)

27
M. Shen, G. Li, D. Wu, Y. Yaguchi, J. C. Haley, K. G. Field, D. Morgan
A deep learning based automatic defect analysis framework for In-situ TEM ion irradiations
Computational Materials Science, 197, 110560, (2021) (Journal Pub, arXiv)

26
S. Zhou, Y. Zhang, D. Morgan
An ab-initio based semi-empirical thermal conductivity model for multiphase uranium-zirconium alloys
Journal of Nuclear Materials, 553, 153044, (2021) (Journal Pub)

25
D. Chatterjee, A. Annamareddy, J. Ketkaew, J. Schroers, D. Morgan, P. M. Voyles
Fast Surface Dynamics on a Metallic Glass Nanowire
ACS Nano, 15, 7, 11309–11316, (2021) (Journal Pub)

24
M. P. Polak, D. Morgan
MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions
Computational Materials Science, 193, 110281, (2021) (Journal Pub)

23
S. Zhou, R. Jacobs, Y. Zhang, C. Jiang, D. Morgan
Combined ab-initio and empirical model for irradiated metal alloys with a focus on uranium alloy fuel thermal conductivity
Journal of Nuclear Materials, 549, 152891, (2021) (Journal Pub)

22
G. Palmer, S. Du, A. Politowicz, J. P. Emory, X. Yang, A. Gautam, G. Gupta, Z. Li, R. Jacobs, D. Morgan
Calibrated bootstrap for uncertainty quantification in regression models
arXiv, (2021) (arXiv)

21
D. Chen, R. Jacobs, D. Morgan, J. Booske
Impact of Nonuniform Thermionic Emission on the Transition Behavior Between Temperature-and Space-Charge-Limited Emission
IEEE Transactions on Electron Devices, 68, 7, 3576-3581, (2021) (Journal Pub, arXiv)

20
R. E. Gutierrez, I. Matanovic, M. P. Polak, R. S. Johnson, D. Morgan, E. Schamiloglu
First principles inelastic mean free paths coupled with Monte Carlo simulation of secondary electron yield of Cu-Ni, Cu-Zn, and Mo-Li
Journal of Applied Physics, 129, 175105, (2021) (Journal Pub)

19
A. Annamareddy, P. M. Voyles, J. Perepezko, D. Morgan
Mechanisms of bulk and surface diffusion in metallic glasses determined from molecular dynamics simulations
Acta Materialia, 209, 116794, (2021) (Journal Pub, arXiv)

18
S. Gurbani, D. Morgan, V. Jog, L. Dreyfuss, M. Shen, A. Das, E. J. Abel, M. G. Lubner
Evaluation of radiomics and machine learning in identification of aggressive tumor features in renal cell carcinoma (RCC)
Abdominal Radiology, 1-11, (2021) (Journal Pub)

17
A. Annamareddy, Y. Li, L. Yu, P. M. Voyles, D. Morgan
Factors correlating to enhanced surface diffusion in metallic glasses
The Journal of Chemical Physics, 154, 104502, (2021) (Journal Pub, arXiv)

16
S. Marks, L. Lin, P. Zuo, P. J. Strohbeen, R. Jacobs, D. Du, J. R. Waldvogel, R. Liu, D. E. Savage, J. H. Booske, J. K. Kawasaki, S. E. Babcock, D. Morgan, P. G. Evans
Solid phase epitaxial growth of the correlated-electron transparent conducting oxide SrVO3
Physical Review Materials, 5, 083402, (2021) (Journal Pub, arXiv)

15
S. Zhou, Y. zhang, C. Jiang, D. Morgan
A combined ab-initio and empirical model for thermal conductivity of concentrated metal alloys with the focus on binary uranium alloys
Materialia, 15, 100990, (2021) (Journal Pub)

14
Y. -L. Lee, Y. Duan, D. C. Sorescu, D. Morgan, H. Abernathy, T. Kalapos, G. Hacket
Density functional theory modeling of cation diffusion in tetragonal bulk ZrO2: Effects of humidity and hydrogen defect complexes on cation transport
Physical Review Research, 3, 013121, (2021) (Journal Pub)

13
T. Ma, R. Jacobs, J. Booske, D. Morgan
Erratum: “Understanding the interplay of surface structure and work function in oxides: A case study on SrTiO3” [APL Mater. 8, 071110 (2020)]
APL Materials, 9, 019901, (2021) (Journal Pub)

12
L. E. Schultz, B. Afflerbach, C. Francis, P. M. Voyles, I. Szlufarska, D. Morgan
Exploration of characteristic temperature contributions to metallic glass forming ability
Computational Materials Science, 196, 110494, (2021) (Journal Pub, arXiv)

11
Y. Shi, I. Szlufarska
Effect of growth twins on strength and microstructural evolution of nanocrystalline aluminum
Journal of Materials Science, 56, 14587–14597, (2021) (Journal Pub)

10
H. Zhang, J. Xi, R. Su, X. Hu, J. Y. Kim, S. Wei, C. Zhang, L. Shi, I. Szlufarska
Enhancing the phase stability of ceramics under radiation via multilayer engineering
Science Advances, 7, 26, eabg7678, (2021) (Journal Pub)

9
S. Wei, H. Zhang, C. Tangpatjaroen, J. Tarnsangpradit, A. D. Usta, M. Eriten, J. H. Perepezko, I. Szlufarska
Wear-induced microstructural evolution of ultra-fine grained (UFGs) aluminum
Acta Materialia, 209, 116787 (2021) (Journal Pub)

8
J. Xi, C. Liu, D. Morgan, I. Szlufarska
Deciphering water-solid reactions during hydrothermal corrosion of SiC
Acta Materialia, 209, 116803, (2021) (Journal Pub, arXiv)

7
J. -Y. Chen, Z. Li, I. Szlufarska, D. J. Klingenberg
Rheology and structure of suspensions of spherocylinders via Brownian dynamics simulations
Journal of Rheology, 65, 273, (2021) (Journal Pub)

6
Z. Li, I. Szlufarska
Physical Origin of the Mechanochemical Coupling at Interfaces
Physical Review Letters, 126, 076001, (2021) (Journal Pub, arXiv)

5
V. Jambur, C. Tangpatjaroen, J. Xi, J. Tarnsangpradit, M. Gao, H. Sheng, J. H. Perepezko, I. Szlufarska
Effects of minor alloying on the mechanical properties of Al based metallic glasses
Journal of Alloys and Compounds, 854, 157266, (2021) (Journal Pub, arXiv)

4
Z. Yu, Q. Liu, I. Szlufarska, B. Wang
Structural signatures for thermodynamic stability in vitreous silica: Insight from machine learning and molecular dynamics simulations
Physical Review Materials, 5, 015602, (2021) (Journal Pub)

3
S. Wei, C. Tangpatjaroen, H. Zhang, I. Szlufarska
Microstructural Evolution of Ultra-Fine Grained (UFGs) Aluminum in Tribological Contacts
Light Metals 2021: 50th Anniversary Edition, 257-262 (2021)

2
Y. Shi, I. Szlufarska
Simulations of Wear-Induced Microstructural Evolution in Nanocrystalline Aluminum
Light Metals 2021: 50th Anniversary Edition, 132-139 (2021)

1
H. Zhang, R. Su, I. Szlufarska, L. Shi, H. Wen
Helium effects and bubbles formation in irradiated Ti3SiC2
Journal of the European Ceramic Society, 41, (1), 252-258, (2021) (Journal Pub)