Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Lorena Alzate-Vargas"'
Autor:
Elizabeth Stippell, Lorena Alzate-Vargas, Kashi N. Subedi, Roxanne M. Tutchton, Michael W.D. Cooper, Sergei Tretiak, Tammie Gibson, Richard A. Messerly
Publikováno v:
Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100042- (2024)
Despite uranium dioxide (UO2) being a widely used nuclear fuel, fuel performance models rely extensively on empirical correlations of material behavior, leveraging the historical operating experience of UO2. Mechanistic models that consider an atomis
Externí odkaz:
https://doaj.org/article/fc9066d998994146a05d1c7a1baf1618
Publikováno v:
Physical Review Materials. 6
Autor:
Kristin A. Persson, Srikanth Allu, Samuel M. Blau, Lorena Alzate-Vargas, Evan Walter Clark Spotte-Smith, Jean-Luc Fattebert
Publikováno v:
The Journal of Physical Chemistry C. 125:18588-18596
Publikováno v:
Macromolecules. 53:9375-9385
We use molecular dynamics simulations to characterize spatio-temporal, high-mobility domains in various bulk polymers, thin slabs, and isolated chains as liquid samples are cooled across the glass ...
Dissertation/ Thesis
The use of atomistic level simulations like molecular dynamics are becoming a key part in the process of materials discovery, optimization and development since they can provide complete description of a material and contribute to understand the resp
Publikováno v:
American Society for Composites 2017.
The use of polymers and composites is growing significantly and enabling emerging technologies. Molecular dynamics simulations of this class of materials plays an important role in our understanding of the fundamental physics of these systems. These
Autor:
Alejandro Strachan, Benjamin P Haley, Coray M. Colina, Michael E. Fortunato, Lorena Alzate-Vargas, Chunyu Li
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 26:065007
We quantify the effect of various sources of uncertainties in the prediction of thermo-physical properties of polymers using molecular dynamics simulations. We quantify how the choice of polymer builder, force field, molecular weight and data analysi
Autor:
Yifei Zeng, Lorena Alzate-Vargas, Chunyu Li, Rachel Graves, Jeff Brum, Alejandro Strachan, Marisol Koslowski
Publikováno v:
Modelling & Simulation in Materials Science & Engineering; Oct2019, Vol. 27 Issue 7, p1-1, 1p
Autor:
Lorena Alzate-Vargas, Michael E Fortunato, Benjamin Haley, Chunyu Li, Coray M Colina, Alejandro Strachan
Publikováno v:
Modelling & Simulation in Materials Science & Engineering; Sep2018, Vol. 26 Issue 6, p1-1, 1p