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• W2089761729 abstract "Using molecular dynamics simulations, we determined the threshold energy for creating defects as a function of the incident angle for all carbon and oxygen atoms in the cellulose monomer. Our analysis shows that the damage threshold energy is strongly dependent on the initial recoil direction and on average slightly higher for oxygen atoms than for carbon atoms in cellulose chain. We also performed cumulative bombardment simulations mimicking low-energy electron irradiation (such as TEM imaging) on cellulose. Analyzing the results, we found that formation of free molecules and broken glucose rings were the most common forms of damage, whereas cross-linking and chain scission were less common. Pre-existing damage was found to increase the probability of cross-linking." @default.
• W2089761729 created "2016-06-24" @default.
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• W2089761729 date "2014-01-14" @default.
• W2089761729 modified "2023-10-18" @default.
• W2089761729 title "Low-energy irradiation effects in cellulose" @default.
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• W2089761729 doi "https://doi.org/10.1063/1.4862225" @default.
• W2089761729 hasPublicationYear "2014" @default.
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