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- W3002017013 abstract "Abstract Computational simulations in general, and in particular molecular dynamics, aid in the understanding of material characteristics at nanoscale. The interactions between particles define the dynamic trajectory of a simulated material at molecular level and effect the material properties at the macroscale. Molecular dynamics (MD) has been used to study the mechanical characteristics of cement paste at nanoscale. Depending on the properties to be analyzed, different force files can be used to simulate the atomic interactions. Some force fields capture specific features such as chemical reactions, however the complexity of the mathematical form and the physical phenomena involved in the simulated system make complex force fields more time consuming and computationally expensive. This chapter presents the mechanical properties of different phases of cement paste and the study of the response of CSH phases to different loadings." @default.
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- W3002017013 date "2020-01-01" @default.
- W3002017013 modified "2023-09-27" @default.
- W3002017013 title "Molecular modeling of nanoscale features of cement paste and their correlation to engineering mechanical behavior" @default.
- W3002017013 doi "https://doi.org/10.1016/b978-0-12-817854-6.00004-0" @default.
- W3002017013 hasPublicationYear "2020" @default.
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