CDI Publications

Nuclear Incident Characterization

Bilbrey, J. A.; Marrero, C. O.; Sassi, M.; Ritzmann, A. M.; Henson, N. J.; Schram, M., Tracking the Chemical Evolution of Iodine Species Using Recurrent Neural Networks. ACS Omega 2020, 5, 4588-4594. DOI: 10.1021/acsomega.9b04104

Sassi, M.; Ritzmann, A. M.; Henson, N. J., Consequences of 131I Transmutation in Gas Phase Radioiodine Molecules and Adsorbed on Graphite Surface. The Journal of Physical Chemistry C 2020, 124, 21461-21466. DOI: 10.1021/acs.jpcc.0c05928

Beck, C. L.; Riley, B. J.; Chong, S.; Karkamkar, A.; Seiner, D. R.; Clark, S. B., Molecular iodine interactions with metal substrates: Towards the understanding of iodine interactions in the environment following a nuclear accident. Journal of Nuclear Materials 2021, 546. DOI: 10.1016/j.jnucmat.2020.152771.

Beck, C. L.; Riley, B. J.; Chong, S.; Smith, N.; Seiner, D. R.; Seiner, B. N.; Engelhard, M. H.; Clark, S. B., Molecular Iodine Interactions with Fe, Ni, Cr, and Stainless Steel Alloys. Industrial & Engineering Chemistry Research 2021, 60, 2447-2454. DOI: 10.1021/acs.iecr.0c04590.

Beck, C. L.; Smith, N. P.; Riley, B. J.; Clark, S. B., Adsorption of iodine on metal coupons in humid and dry environments. Journal of Nuclear Materials 2021, 556. DOI: 10.1016/j.jnucmat.2021.153204.

Riley B.J., C.L. Beck, and S. Chong. 2021. "Iodine vapor reactions with pure metal wires at temperatures of 100°C to 139°C in air." Industrial and Engineering Chemistry Research, 2021, 60, 47, 17162-17173. DOI:10.1021/acs.iecr.1c03902

Rubio-Herrero J., C.M. Ortiz Marrero, and L. Fan. 2022. "Modeling Atmospheric Data and Identifying Dynamics: Temporal Data-Driven Modeling of Air Pollutants." Journal of Cleaner Production 333. PNNL-SA-157007. DOI:10.1016/j.jclepro.2021.129863

Additive Manufacturing

Kennedy, Z. C.; Stephenson, D. E.; Christ, J. F.; Pope, T. R.; Arey, B. W.; Barrett, C. A.; Warner, M. G., Enhanced anti-counterfeiting measures for additive manufacturing: coupling lanthanide nanomaterial chemical signatures with blockchain technology. Journal of Materials Chemistry C 2017, 5, 9570-9578. DOI: 10.1039/C7TC03348F

Kennedy, Z. C.; Christ, J. F.; Arey, B. W.; Zhong, L.; Barrett, C. A., Tunable Porosity in Fused Filament 3D-Printed Blends of Intrinsically Porous Polymer and Thermoplastic Aliphatic Polyesters Polycaprolactone and Polylactic Acid. ACS Applied Polymer Materials 2019, 1, 482-492. DOI: 10.1021/acsapm.8b00172

Battu, A. K.; Pope, T. R.; Varga, T.; Christ, J. F.; Fenn, M. D.; Rosenthal, W. S.; Kuang, W.; Thomas, M.; Arnold, A. M.; Schram, M.; Warner, M. G.; Barrett, C. A.; Kennedy, Z. C., Build orientation dependent microstructure in polymer laser sintering: Relationship to part performance and evolution with aging. Additive Manufacturing 2020, 36. DOI: 10.1016/j.addma.2020.101464

Luzi, F.; Fenn, M.; Christ, J.; Kennedy, Z.; Varga, T.; Hughes, M. S.; Ortiz-Marrero, C., Application of entropy and signal energy for ultrasound-based classification of three-dimensional printed polyetherketoneketone components. The Journal of the Acoustical Society of America 2020, 148, 292-301. DOI: 10.1121/10.0001581

Rosenthal, W. S.; Grogan, F. C.; Li, Y.; Barker, E. I.; Christ, J. F.; Pope, T. R.; Battu, A. K.; Varga, T.; Barrett, C. A.; Warner, M. G.; Peles, A., “Sintering” Models and In-Situ Experiments: Data Assimilation for Microstructure Prediction in SLS Additive Manufacturing of Nylon Components. MRS Advances 2020, 5, 1593-1601. DOI: 10.1557/adv.2020.125

Thomas, M.; Schram, M.; Fox, K.; Strube, J.; Oblath, N. S.; Rallo, R.; Kennedy, Z. C.; Varga, T.; Battu, A. K.; Barrett, C. A., Distributed heterogeneous compute infrastructure for the study of additive manufacturing systems. MRS Advances 2020, 1-9. DOI: 10.1557/adv.2020.103.

Strube, J.; Schram, M.; Rustam, S.; Kennedy, Z.; Varga, T., Identifying build orientation of 3D‐printed materials using convolutional neural networks. Statistical Analysis and Data Mining: The ASA Data Science Journal 2021. DOI: 10.1002/sam.11497.

Arnold, A. M.; Kennedy, Z. C.; Silverstein, J. A.; Ellis, J. F.; Hutchison, J. R., Pearlescent Mica-Doped Alginate as a Stable, Vibrant Medium for Two-Dimensional and Three-Dimensional Art. ACS Omega 2021, 6, 18694-18701. DOI: 10.1021/acsomega.1c01453.

Functional Materials

Guo, W.; Kanski, M.; Liu, W.; Gołuński, M.; Zhou, Y.; Wang, Y.; Cheng, C.; Du, Y.; Postawa, Z.; Wei, W. D.; Zhu, Z., Three-Dimensional Mass Spectrometric Imaging of Biological Structures Using a Vacuum-Compatible Microfluidic Device. Analytical Chemistry 2020, 92, 13785-13793. DOI: 10.1021/acs.analchem.0c02204

Lu, Z.; Chaka, A. M.; Sushko, P. V., Thermal conductance enhanced via inelastic phonon transport by atomic vacancies at Cu/Si interfaces. Physical Review B 2020, 102. DOI: 10.1103/PhysRevB.102.075449

Wang, L.; Yang, Z.; Wu, J.; Bowden, M. E.; Yang, W.; Qiao, A.; Du, Y., Time- and strain-dependent nanoscale structural degradation in phase change epitaxial strontium ferrite films. npj Materials Degradation 2020, 4. DOI: 10.1038/s41529-020-0120-3.

Zhou, Y.; Su, M.; Yu, X.; Zhang, Y.; Wang, J.-G.; Ren, X.; Cao, R.; Xu, W.; Baer, D. R.; Du, Y.; Borodin, O.; Wang, Y.; Wang, X.-L.; Xu, K.; Xu, Z.; Wang, C.; Zhu, Z., Real-time mass spectrometric characterization of the solid–electrolyte interphase of a lithium-ion battery. Nature Nanotechnology 2020, 15, 224-230. DOI: 10.1038/s41565-019-0618-4.

Kautz, E. J., Predicting material microstructure evolution via data-driven machine learning. Patterns 2021. DOI: 10.1016/j.patter.2021.100285.

Wang, C.-F.; Zamkov, M.; El-Khoury, P. Z., Ambient Tip-Enhanced Photoluminescence with 5 nm Spatial Resolution. The Journal of Physical Chemistry C 2021. DOI: 10.1021/acs.jpcc.1c04012.

Lu, Z.; Prange, M. P.; Sushko, P. V., Tuning Electronic Properties of 2D Materials Using Metal Adsorbates: Cu at WTe2 Edges. The Journal of Physical Chemistry Letters 2021, 6596-6603. DOI: 10.1021/acs.jpclett.1c01617.

Beck, R. A.; Lu, L.; Sushko, P. V.; Xu, X.; Li, X., Defect-Induced Magnetic Skyrmion in a Two-Dimensional Chromium Triiodide Monolayer. JACS Au 2021. DOI: 10.1021/jacsau.1c00142.

Lu, Z.; Smith, N. P.; Prange, M. P.; Bunker, R.; Orrell, J. L.; Chaka, A. M., Effect of interfacial structures on phonon transport across atomically precise Si/Al heterojunctions. Physical Review Materials 2021 DOI: 10.1103/PhysRevMaterials.5.086002

El-Khoury, P., Tip-Enhanced Raman Scattering on Both Sides of the Schrodinger Equation. ACS Accounts 2021, 54,4576-4583, DOI: 10.1021/acs.accounts.1c00597.

Akers S.M., E.J. Kautz, A. Trevino-Gavito, M.J. Olszta, B.E. Matthews, L. Wang, and Y. Du, et al. 2021. "Rapid and Flexible Segmentation of Electron Microscopy Data Using Few-Shot Machine Learning." npj Computational Materials 7. PNNL-SA-160786. DOI:10.1038/s41524-021-00652-z

Data and Integration

Kautz, E. J., Predicting material microstructure evolution via data-driven machine learning. Patterns 2021. DOI: 10.1016/j.patter.2021.100285.

Wang, C.-F.; Zamkov, M.; El-Khoury, P. Z., Ambient Tip-Enhanced Photoluminescence with 5 nm Spatial Resolution. The Journal of Physical Chemistry C 2021. DOI: 10.1021/acs.jpcc.1c04012.

Akers S.M., E.J. Kautz, A. Trevino-Gavito, M.J. Olszta, B.E. Matthews, L. Wang, and Y. Du, et al. 2021. "Rapid and Flexible Segmentation of Electron Microscopy Data Using Few-Shot Machine Learning." npj Computational Materials 7. PNNL-SA-160786. DOI:10.1038/s41524-021-00652-z

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25. UC1 and In

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Chemical Dynamics Initiative

CDI Publications