D
Diego Troya
Researcher at Virginia Tech
Publications - 118
Citations - 4259
Diego Troya is an academic researcher from Virginia Tech. The author has contributed to research in topics: Reaction dynamics & Potential energy surface. The author has an hindex of 35, co-authored 109 publications receiving 3849 citations. Previous affiliations of Diego Troya include Northwestern University & Northwest University (United States).
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Journal ArticleDOI
The role of vacancy defects and holes in the fracture of carbon nanotubes
Steven L. Mielke,Diego Troya,Sulin Zhang,Je-Luen Li,Shaoping Xiao,Roberto Car,Rodney S. Ruoff,George C. Schatz,Ted Belytschko +8 more
TL;DR: In this paper, the role of vacancy defects in the fracture of carbon nanotubes under axial tension was investigated using density functional theory and semi-empirical methods, and molecular mechanics (MM) calculations with a Tersoff-Brenner potential.
Journal ArticleDOI
Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations
Sulin Zhang,Steven L. Mielke,Roopam Khare,Diego Troya,Diego Troya,Rodney S. Ruoff,George C. Schatz,Ted Belytschko +7 more
TL;DR: In this article, a modified second generation Brenner potential (MTB-G2) was used to simulate the fracture of defected carbon nanotubes (CNTs) and to compare with the available experimental results.
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In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks
Anna M. Plonka,Qi Wang,Wesley O. Gordon,Alex Balboa,Diego Troya,Weiwei Guo,Conor H. Sharp,Sanjaya D. Senanayake,John R. Morris,Craig L. Hill,Anatoly I. Frenkel +10 more
TL;DR: Diffraction measurements indicate that all four MOFs adsorb DMMP within the pore space, and the combination of X-ray absorption and infrared spectra suggests direct coordination of DMMP to the Zr6 cores of all MOFs, which ultimately leads to decomposition to phosphonate products.
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Bottlebrush Polymer Synthesis by Ring-Opening Metathesis Polymerization: The Significance of the Anchor Group
TL;DR: Rational selection of the anchor group is critical to achieve high MM conversion and to prepare pure, high MW bottlebrush polymers by ROMP grafting-through.
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How Solvent Modulates Hydroxyl Radical Reactivity in Hydrogen Atom Abstractions
TL;DR: The results reported herein show that hydroxyl radical is considerably less reactive in dipolar, aprotic solvents such as acetonitrile, and this diminished reactivity is explained on the basis of a polarized transition state for hydrogen abstraction.