Browsing Articles by Subject "molecular dynamics"

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CHANGES IN THE SECONDARY STRUCTURE AND ASSEMBLY OF PROTEINS ON FLUORIDE CERAMIC (CEF3) NANOPARTICLE SURFACES

Sakaguchi, Naoya; Kaumbekova, Samal; Itano, Ryodai; Torkmahalleh, Mehdi Amouei; Shah, Dhawal; Umezawa, Masakazu (ACS Applied Bio Materials, 2022)

Fluoride nanoparticles (NPs) are materials utilized in the biomedical field for applications including imaging of the brain. Their interactions with biological systems and molecules are being investigated, but the mechanism ...
PHONON HEAT TRANSPORT IN TWO-DIMENSIONAL PHAGRAPHENE-GRAPHENE SUPERLATTICE

Farzadian, O.; Yousef, F.; Spitas, C.; Kostas, K.V. (International Journal of Heat and Mass Transfer, 2021)

In this study, we perform non-equilibrium molecular dynamics simulations to investigate phonon heat transport in a two-dimensional superlattice with equal-sized domains of graphene and phagraphene. Ef fects on conductivity ...