Greathouse, J.A., Weck, P.F., Gordon, M., Kim, E., Bryan, C.R., & Bryan, C.R. (2020). Molecular dynamics simulation of zirconium tungstate amorphization and the amorphous-crystalline interface. Journal of Physics Condensed Matter, 32(8). 10.1088/1361-648X/ab5377
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Jump to search filtersWeck, P.F., Kim, E., Jove-Colon, C.F., & Jove-Colon, C.F. (2019). Structure–thermodynamics relationship of schoepite from first-principles. Physical Chemistry Chemical Physics. PCCP, 21(46). 10.1039/C9CP04117F
Bryan, C.R., Gordon, M., Greathouse, J.A., Weck, P.F., Kim, E., & Kim, E. (2019). Novel Zoned Waste-forms for High-Priority Radionuclide Waste Streams. 10.2172/1569156
Weck, P.F., Kim, E., Gordon, M., Greathouse, J.A., Meserole, S., Bryan, C.R., & Bryan, C.R. (2019). Elucidating Structure-Spectral Property Relationships of Negative Thermal Expansion Zr2(WO4)(PO4)2: A First-Principles Study with Experimental Validation. Journal of Physical Chemistry C, 123(35), pp. 21607-21616. 10.1021/acs.jpcc.9b06069
Borjas Nevarez, R., Kim, E., Childs, B.C., Braband, H., Bigler, L., Stalder, U., Alberto, R., Weck, P.F., Poineau, F., & Poineau, F. (2019). Zirconium chloride molecular species: combining electron impact mass spectrometry and first principles calculations. SN Applied Sciences, 1(5). 10.1007/s42452-019-0410-y
Weck, P.F., Kim, E., Jove-Colon, C.F., & Jove-Colon, C.F. (2019). Generating Thermodynamic Data for Geochemical and SNF Degradation Models: A First-Principles Approach [Conference Poster]. https://www.osti.gov/biblio/1640094
Gordon, M., Bryan, C.R., Greathouse, J.A., Weck, P.F., Kim, E., Payne, C., & Payne, C. (2019). Synthesis and processing of meta-stable negative thermal expansion materials ZrW2O8 and Zr2WP2O12 as a wasteform [Conference Poster]. https://www.osti.gov/biblio/1639760
Greathouse, J.A., Weck, P.F., Gordon, M., Kim, E., Bryan, C.R., & Bryan, C.R. (2019). Structural properties of crystalline and amorphous zirconium tungstate from classical molecular dynamics simulations [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067129982&origin=inward
Kim, E., Gordon, M., Weck, P.F., Greathouse, J.A., Meserole, S.P., Rodriguez, M.A., Payne, C., Bryan, C.R., & Bryan, C.R. (2019). Combined computational and experimental study of zirconium tungstate [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067104330&origin=inward
Bryan, C.R., Gordon, M., Weck, P.F., Greathouse, J.A., Kim, E., Payne, C., & Payne, C. (2019). Potential use of novel Zr-P-W wasteforms for radionuclide waste streams [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067108975&origin=inward
Greathouse, J.A., Weck, P.F., Gordon, M., Kim, E., Bryan, C.R., & Bryan, C.R. (2018). STRUCTURAL PROPERTIES OF CRYSTALLINE AND AMORPHOUS ZIRCONIUM TUNGSTATE FROM CLASSICAL MOLECULAR DYNAMICS SIMULATIONS [Conference Poster]. https://www.osti.gov/biblio/1583008
Bryan, C.R., Gordon, M., Weck, P.F., Greathouse, J.A., Kim, E., Payne, C., & Payne, C. (2018). POTENTIAL USE OF NOVEL Zr-P-W WASTEFORMS FOR RADIONUCLIDE WASTE STREAMS [Conference Poster]. https://www.osti.gov/biblio/1595882
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