Publications

The following publications feature research conducted by Trainees, faculty, and postdocs of the SEAS program.

  1. Banerjee, D., Dedmon, H., Rahmani, F., Pasqinelli, M., Ford, E. Cyclization kinetics of gel-spun polyacrylonitrile/aldaric-acid sugars using the isoconversional approach J Appl Polym Sci.139:e51781 (2022). https://doi.org/10.1002/app.51781
  2. Eldred, T.B., Smith, J.G., Gao, W. Polarization fluctuation of BaTiO3 at unit cell level mapped by four-dimensional scanning transmission electron microscopy J. Vac. Sci. Technol. A, 40, 013205 (2022). https://doi.org/10.1116/6.0001451
  3. Kumar, A., Baker, J.N., Bowes, P.C., Cabral, M.J., Zhang, S.J., Dickey, E.C., Irving, D.L., LeBeau, J.M. Atomic Resolution Electron Microscopy of Nanoscale Local Structure in Lead-Based Relaxor Ferroelectrics Nature Materials 20,1,62-67 (2021). https://doi.org/10.1038/s41563-020-0794-5
  4. Chi, J.T., Ipsen, I.C.F., Multiplicative perturbation bounds for multivariate multiple linear regression in Schatten p-norms Linear Algebra and its Applications 624, 87–102 (2021). https://doi.org/10.1016/j.laa.2021.03.039
  5. Miller, M.J., Cabral, M.J., Dickey, E.C., Lebeau, J.M., Reich, B.J. Accounting for Location Measurement Error in Imaging Data With Application to Atomic Resolution Images of Crystalline Materials Technometrics 64:1, 103-113 (2021). https://doi.org/10.1080/00401706.2021.1905070
  6. Peerless, J.S., Kwamsa, A.L., Hawkins, B.S., Smith, R.C., Yingling, Y.G., Uncertainty Quantificaion and Sensitivity Analysis of Partial Charges on Macroscopic Solvent Properties in Molecular Dynamics Simulations with a Machine Learning Model J. Chem. Inf. Model 61,4, 1745-1761 (2021). https://doi.org/10.1021/acs.jcim.0c01204
  7. Mirrielees, K.J. Dycus, J.H., Baker, J.N., et al. Native oxide reconstructions on AlN and GaN (0001) surfaces J. Appl. Phys. 129, 195304 (2021) https://doi.org/10.1063/5.0048820
  8. Ziatdinov M, Creange N, Zhang X, et al. Predictability as a probe of manifest and latent physics: The case of atomic scale structural, chemical, and polarization behaviors in multiferroic Sm-doped BiFeO Appl. Phys. Rev. 8, 011403 (2021). https://doi.org/10.1063/5.0016792
  9. Daigle, S.E., Brenner, D.W. Statistical approach to obtaining vacancy formation energies in high-entropy crystals from first principles calculations: Application to a high-entropy diboride Phys. Rev. Materials 2020, (4), 123602. https://doi.org/10.1103/PhysRevMaterials.4.123602
  10. Oweida, T.J., Mahmood, A., Manning, M.D., Rigin, S., Yingling, Y.G. Merging Materials and Data Science: Opportunities, Challenges, and Education in Materials Informatics MRS Advances 5 [7, S1] 329-346. (2020) https://doi.org/10.1557/adv.2020.171
  11. Winkel, M.A., Stallrich, J.W., Storlie, C.B., Reich, B.J. Sequential Optimization in Locally Important Dimensions, Techometrics, early access available online (2020) https://doi.org/10.1080/00401706.2020.1714738
  12. Otonica, M., Bradesko, A., Fulanovic, L., Kos, T., Ursic, H., Bencan, A.,Cabral, M.Henriques, A.Jones, J.L. Connecting the Multiscale Structure with Macroscopic Response of Relaxor Ferroelectrics Adv. Funct. Mater. 30, 2006823. (2020) https://doi.org/10.1002/adfm.202006823
  13. De Guire, E.; Bartolo, L.; Brindle, R.; Devanathan, R.; Dickey, E.C., et al. Data‐driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities. J. Am. Ceram. Soc. 2019,102, 6385–6406. https://doi.org/10.1111/jace.16677
  14. Hu, H.; Ye, L.; Ghasemi, M.; Balar, N.; Rech, J. J.; Stuard, S. J.; You, W.; O’Connor, B. T.; Ade, H. Highly Efficient, Stable, and Ductile Ternary Nonfullerene Organic Solar Cells from a Two-Donor Polymer Blend. Adv. Mater. 2019, 31 (17), 1–8. https://doi.org/10.1002/adma.201808279.
  15. Carpenter, J. H.; Ghasemi, M.; Gann, E.; Angunawela, I.; Stuard, S. J.; Rech, J. J.; Ritchie, E.; O’Connor, B. T.; Atkin, J.; You, W.; DeLongchamp, D. M.; Ade, H. Competition between Exceptionally Long-Range Alkyl Sidechain Ordering and Backbone Ordering in Semiconducting Polymers and Its Impact on Electronic and Optoelectronic Properties. Adv. Funct. Mater. 2019, 29 (5), 1–13. https://doi.org/10.1002/adfm.201806977.
  16. Wright, A., Brent, R., Dickey, E. C., Weems, K. S., Reich, B. J., Jackson, C. R., (2019, April) A Bridge to the Ph.D. for URM Students CoNECD – The Collaborative Network for Engineering and Computing Diversity , Crystal City, Virginia, 2019 https://peer.asee.org/31735
  17. Lin, Y.; Fang, Y.; Zhao, J.; Shao, Y.; Stuard, S. J.; Nahid, M. M.; Ade, H.; Wang, Q.; Shield, J. E.; Zhou, N.; et al. Unveiling the Operation Mechanism of Layered Perovskite Solar Cells. Nat. Commun. 2019, 10 (1), 1–12. https://doi.org/10.1038/s41467-019-08958-9.
  18. Gardinier, T. C.; Kohle, F. F. E.; Peerless, J. S.; Ma, K.; Turker, M. Z.; Hinckley, J. A.; Yingling, Y. G.; Wiesner, U. High-Performance Chromatographic Characterization of Surface Chemical Heterogeneities of Fluorescent Organic-Inorganic Hybrid Core-Shell Silica Nanoparticles. ACS Nano. 2019. https://doi.org/10.1021/acsnano.8b07876.
  19. Leon, L.S., Miles, P.R., Smith, R.C., Oates, W.S. Active subspace analysis and uncertainty quantification for a polydomain ferroelectric phase-field model J. Intell. Mater. Syst. Struct. 2019, 30(14), 2027-2051. https://doi.org/10.1177/1045389X19853636
  20. Hu, J., Oswald, I.W.H., Hu, H., Stuard, S.J., Nahid, M.M., Yan, L., CHen, Z., Ade, H., Neilson, J.R., You, W. Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic–Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency, ACS Materials Lett. 2019, 1 (1), 171–176. https://doi.org/10.1021/acsmaterialslett.9b00102
  21. Hu, J.; Oswald, I. W. H.; Stuard, S. J.; Nahid, M. M.; Zhou, N.; Williams, O. F.; Guo, Z.; Yan, L.; Hu, H.; Chen, Z.; et al. Synthetic Control over Orientational Degeneracy of Spacer Cations Enhances Solar Cell Efficiency in Two-Dimensional Perovskites. Nat. Commun. 2019, 10 (1), 1–12. https://doi.org/10.1038/s41467-019-08980-x.
  22. Peerless, J. S.; Milliken, N. J. B.; Oweida, T. J.; Manning, M. D.; Yingling, Y. G. Soft Matter Informatics: Current Progress and Challenges. Adv. Theory Simulations 2019. https://doi.org/10.1002/adts.201800129.
  23. Li, F.; Cabral, M. J.; Xu, B.; Cheng, Z.; Dickey, E. C.; Lebeau, J. M.; Wang, J.; Luo, J.; Taylor, S.; Hackenberger, W.; et al. Giant Piezoelectricity of Sm-Doped Pb(Mg1/3Nb2/3)O3-PbTiO3 Single Crystals. Science 2019, 1 (April), 264–268.
    doi:10.1126/science.aaw2781
  24. Kang, Q., Ye, L., Xu, B., An, C., Stuard, S.J., Zhang, S., Yao, H., Ade, H., Hou, J., A Printable Organic Cathode Interlayer Enables over 13% Efficiency for 1-cm 2 Organic Solar Cells. Joule 2019, 3 (1), 227-239. https://doi.org/10.1016/j.joule.2018.10.024
  25. Leon, L.; Smith, R. C.; Oates, W. S.; Miles, P. Analysis of a Multi-Axial Quantum-Informed Ferroelectric Continuum Model: Part 2—Sensitivity Analysis. J. Intell. Mater. Syst. Struct. 2018, 29 (13), 2840–2860. doi.org/10.1177/1045389X18781024
  26. Miles, P.; Leon, L.; Smith, R. C.; Oates, W. S. Analysis of a Multi-Axial Quantum Informed Ferroelectric Continuum Model: Part 1—Uncertainty Quantification. J. Intell. Mater. Syst. Struct. 2018, 29 (13), 2823–2839. doi.org/10.1177/1045389X18781023
  27. Bakerman, J.; Pazdernik, K.; Wilson, A.; Fairchild, G.; Bahran, R. Twitter Geolocation. ACM Trans. Knowl. Discov. Data 2018, 12 (3), 1–17. https://doi.org/10.1145/3178112.
  28. Leon, L. S.; Smith, R. C.; Oates, W. S.; Miles, P. Active Subspace Uncertainty Quantification for a Polydomain Ferroelectric Phase-Field Model. In Proceedings of SPIE; 2018; Vol. 10596, p 25. https://doi.org/10.1117/12.2297207.
  29. Cabral, M. J.; Zhang, S.; Dickey, E. C.; Lebeau, J. M. Gradient Chemical Order in the Relaxor Pb(Mg1/3Nb2/3)O3. Appl. Phys. Lett. 2018, 112 (8). doi: 10.1063/1.5016561
  30. Peerless, J. S.; Bowers, G. H.; Kwansa, A. L.; Yingling, Y. G. Effect of C60 Adducts on the Dynamic Structure of Aromatic Solvation Shells. Chem. Phys. Lett. 2017, 678, 79–84. https://doi.org/10.1016/j.cplett.2017.04.010

    Theses & Dissertations

  31. Penn, A. Depth-dependent Chemical and Structural Profiling of Oxide Thin Films with Scanning Transmission Electron Microscopy. Ph.D. Dissertation, North Carolina State University (2021) URI: https://www.lib.ncsu.edu/resolver/1840.20/39211
  32. Oweida, T.J. Predicting the Structure and Self-Assembly of Polyelectrolytes through Molecular Modeling and Machine Learning. Ph.D. Dissertation, North Carolina State University (2021) URI: https://www.lib.ncsu.edu/resolver/1840.20/39086
  33. Chi, J.T. Algorithms and Analysis for the Efficient Solution of Large-Scale Linear Least Squares Problems. Ph.D. Dissertation, North Carolina State University (2021) URI: https://www.lib.ncsu.edu/resolver/1840.20/38772
  34. Miller, M.J. Bayesian Methods for Large Spatial Data Sets with Materials and Environmental Science Applications. Ph.D. Dissertation, North Carolina State University (2021) URI: https://www.lib.ncsu.edu/resolver/1840.20/38818
  35. Noiki, F. Cross Section Measurements of Photonuclear Reaction Pathways. Thesis, North Carolina Central University (2021) ISBN: 9798535543055
  36. Marston, A. Solution Phase Functionalization of Graphene Oxide. M.S. Thesis, North Carolina Central University (2021) ISBN: 9798534677652
  37. Creange, N.C. Multi-length Scale Characterization of Resistance Degradation in Dielectric Titanates. Ph.D. Dissertation, North Carolina State University (2020) URI: https://www.lib.ncsu.edu/resolver/1840.20/38421
  38. McDowell, S.M. A Sequential Analysis of X-ray Diffraction Data, M.S. Thesis, North Carolina Central University (2019) ISBN: 1085656225, 9781085656221
  39. Davis, V.O. A Neural Networks Approach to Predicting the Orientation of Images Collected from Electron Backscatter Diffraction Patterns, M.S. Thesis, North Carolina Central University (2019) ISBN: 9781088331644, 1088331645
  40. Peerless, J. S. Nanoparticle-Solvent Interactions: Design Insight from Atomic Simulation, Ph.D. Dissertation, North Carolina State University (2019) URI: http://www.lib.ncsu.edu/resolver/1840.20/36445.
  41. Leon, L. S. Parameter Subset Selection and Subspace Analysis Techniques Applied to a Polydomain Ferroelectric Material Phase-Field Energy Model, Ph.D. Dissertation, North Carolina State University (2018) URI: http://www.lib.ncsu.edu/resolver/1840.20/35537.
  42. Cabral, M. J. Quantifying Short-Range Chemical and Structural Order in Complex Oxides via Scanning Transmission Electron Microscopy, Ph.D. Dissertation, North Carolina State University (2018) URI: http://www.lib.ncsu.edu/resolver/1840.20/35613.
  43. Bourne, N., Small Frobenius Functionals on the Maximal Parabolic Subalgebras of sl(n,F), M.S. Thesis, North Carolina Central University (2018) ISBN: 0438267311, 9780438267312

    Book Chapters

  44. Reynolds, J.R., Thompson, B.C., Skotheim, T.A., Ye, L., Stuard, S.J., Ade, H. (2019) “Soft X-Ray Scattering Characterization of Polymer Semiconductors” John R. Reynolds, Barry C. Thompson, Terje A. Skotheim (Eds.) Handbook of Conducting Polymers: Conjugated Polymers: Properties, Processing, and Applications pp. 427-458. Abingdon, United Kingdom. Taylor & Francis Group. http://doi.org/10.1201/9780429190520-13
  45. Singh, S.; Paterson, A. R.; Wendelberger, L. J.; Fancher, C. M.; Reich, B. J.; Smith, R. C.; Wilson, A. G.; Jones, J. L. Algorithms in Diffraction Profile Analysis. Handbook on Big Data and Machine Learning in the Physical Sciences Volume 1: Big Data Methods in Experimental Materials Discovery, Big, Deep, and Smart Data in Physical and Chemical Imaging; Foster, Ian, Kalinin, S., Ed.; World Scientific Publishers, 2019. https://doi.org/10.1142/9789811204555_0015
  46. Paterson, A., Reich, B., Smith, R., Wilson, A., Jones, J. (2018). Bayesian Approaches to Uncertainty Quantification and Structure Refinement from X-ray Diffraction. Materials Discovery and Design: Data Science and Optimal Learning, eds. T. Lookman, S. Eidenbenz, F.Alexander and C. Barnes, Springer International Publishing. vol 280, pp. 81-102. Print ISBN: 978-3-319-99464-2. https://doi.org/10.1007/978-3-319-99465-9_4

    NRT-Motivating Publications by SEAS Faculty

  • Monitoring charge separation processes in quasi-one-dimensional organic crystalline structures
    Adrian Popescu, Robert A. Younts, Benjamin Hoffman, Terry McAfee, Daniel B. Dougherty, Harald W. Ade, Kenan Gundogdu, and Igor V. Bondarev
    doi: 10.1021/acs.nanolett.7b02471
  • Statistical and image analysis for characterizing simulated atomic-scale damage in crystals
    D. Li, B.J. Reich, D.W. Brenner
    https://doi.org/10.1016/j.commatsci.2017.03.054
  • How predictable is plastic damage at the atomic scale?
    D. Li, E. W. Bucholz, G. Peterson, B.J. Reich, J. C. Russ, and D.W. Brenner
    http://dx.doi.org/10.1063/1.4977420
  • Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis
    Chris M. Fancher, Zhen Han, Igor Levin, Katharine Page, Brian J. Reich, Ralph C. Smith, Alyson G. Wilson & Jacob L. Jones
    doi:10.1038/srep31625
    https://www.nature.com/articles/srep31625
  • A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials
    T. Iamsasri, J. Guerrier, G. Esteves, C. M. Fancher, A. G. Wilson, R. C. Smith, E. A. Paisley, R. Johnson-Wilke, J. F. Ihlefeld, N. Bassiri-Gharb and J. L. Jones
    https://doi.org/10.1107/S1600576716020057
  • A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
    Arash Dehghan Banadaki & Srikanth Patala
    doi:10.1038/s41524-017-0016-0
    https://www.nature.com/articles/s41524-017-0016-0
  • Lowest energy Frenkel and charge transfer exciton intermixing in one-dimensional copper phthalo-cyanine molecular lattice
    I.V. Bondarev, A. Popescu, R. A. Younts, B. Hoffman, T. McAfee, D.B. Dougherty, K. Gundogdu, and H.W. Ade
    http://dx.doi.org/10.1063/1.4968821
  • Quantification of parameter and model uncertainty for shape memory alloy bending actuators
    John H Crews, Ralph C Smith
    doi: 10.1177/1045389X13490842
    http://journals.sagepub.com/doi/full/10.1177/1045389X13490842
  • Quantification of parameter uncertainty for robust control of shape memory alloy bending actuators
    John H Crews, Jerry A McMahan, Ralph C Smith and Jennifer C Hannen
    https://doi.org/10.1088/0964-1726/22/11/115021