Zobrazeno 1 - 10
of 349
pro vyhledávání: '"Simon R. Phillpot"'
Autor:
Nathalie A. Wall, Emily Maulden, Elizabeth J. Gager, An T. Ta, R. Seaton Ullberg, Guanlin Zeng, Lorena Nava-Farias, Adam P. Sims, Juan C. Nino, Simon R. Phillpot, James E. Szecsody, Carolyn I. Pearce
Publikováno v:
ACS Earth and Space Chemistry. 6:2552-2574
Autor:
Kyoung Chul Park, Corey R. Martin, Gabrielle A. Leith, Grace C. Thaggard, Gina R. Wilson, Brandon J. Yarbrough, Buddhima K. P. Maldeni Kankanamalage, Preecha Kittikhunnatham, Abhijai Mathur, Isak Jatoi, Mackenzie A. Manzi, Jaewoong Lim, Ingrid Lehman-Andino, Alejandra Hernandez-Jimenez, Jake W. Amoroso, David P. DiPrete, Yuan Liu, Joseph Schaeperkoetter, Scott T. Misture, Simon R. Phillpot, Shenyang Hu, Yulan Li, Antoine Leydier, Vanessa Proust, Agnès Grandjean, Mark D. Smith, Natalia B. Shustova
Publikováno v:
Journal of the American Chemical Society. 144:16139-16149
Comparison of defect-controlled leaching-kinetics modulation of metal-organic frameworks (MOFs) and porous functionalized silica-based materials was performed on the example of a radionuclide and radionuclide surrogate for the first time, revealing a
Publikováno v:
Carbon. 185:449-463
Reactive molecular dynamics (MD) simulations are performed to study the initial stage of the oxidation of carbon fiber and amorphous carbon char with atomic oxygen at temperatures ranging from 1000 K to 4500 K. The carbon fiber and amorphous char mod
Autor:
Kyoung Chul Park, Preecha Kittikhunnatham, Jaewoong Lim, Grace C. Thaggard, Yuan Liu, Corey R. Martin, Gabrielle A. Leith, Donald J. Toler, An T. Ta, Nancy Birkner, Ingrid Lehman‐Andino, Alejandra Hernandez‐Jimenez, Gregory Morrison, Jake W. Amoroso, Hans‐Conrad zur Loye, Dave P. DiPrete, Mark D. Smith, Kyle S. Brinkman, Simon R. Phillpot, Natalia B. Shustova
Publikováno v:
Angewandte Chemie International Edition. 62
A novel series of heterometallic f-block-frameworks including the first examples of transuranic heterometallic 238U/239Pu-metal-organic frameworks (MOFs) and a novel monometallic 239Pu-analog are reported. In combination with theoretical calculations
Study of Incorporating Cesium into Copper Hexacyanoferrate by Density Functional Theory Calculations
Publikováno v:
The Journal of Physical Chemistry C. 125:24273-24283
Autor:
Alexander R. Webber, Simon R. Phillpot, Duy T. Nguyen, Eric O. McGhee, W. Gregory Sawyer, Paul Gader
Publikováno v:
SIGSIM Conference on Principles of Advanced Discrete Simulation.
Publikováno v:
Carbon. 173:232-244
A high-fidelity model is necessary for understanding the properties of carbon fibers (CFs) and developing the next generation of CFs and related composites. Using kinetic Monte Carlo combined with large-scale Molecular Dynamics (kMC-MD), we generate
Autor:
Andrew B. Greytak, Simon R. Phillpot, Natalia B. Shustova, Corey R. Martin, Cameron R. Callahan, Fiaz Ahmed, Mark D. Smith, Shelby L. Desmond, Kyoung Chul Park, Abhijai Mathur, Otega A. Ejegbavwo, Shubham Pandey, Myles R. Keener, Gabrielle A. Leith, Preecha Kittikhunnatham
Publikováno v:
Angewandte Chemie International Edition. 60:8072-8080
Acquiring fundamental knowledge of properties of actinide-based materials is a necessary step to create new possibilities for addressing the current challenges in the nuclear energy and nuclear waste sectors. In this report, we established a photophy
Autor:
Xueyang Wu, Iman Abdallah, Wen Jiang, Robert S. Ullberg, Simon R. Phillpot, Adrien Couet, John H. Perepezko, Michael R. Tonks
Publikováno v:
Computational Materials Science. 218:111996
Publikováno v:
Journal of Applied Crystallography. 53:1087-1100
A new, computationally efficient, complex modeling approach is presented for the quantification of the local and average atomic structure, nanostructure and microstructure of an Au0.25Cu0.75alloy. High-resolution X-ray powder diffraction and whole pa