R Lenin, PA Joy, C Bera - Journal of Molecular Liquids, 2021 - Elsevier
Thermal properties of nanofluids are very well investigated by the global research community for their various applications. The dispersion and stability of the nanoparticles in …
Heat transfer between a silver nanoparticle and surrounding water has been studied using molecular dynamics (MD) simulations. The thermal conductance (Kapitza conductance) at …
DM Leitner, HD Pandey, KM Reid - The Journal of Physical …, 2019 - ACS Publications
Energy transport during chemical reactions or following photoexcitation in systems of biological molecules is mediated by numerous interfaces that separate chemical groups and …
We investigate the general dependence of the thermal transport across nanoparticle–fluid interfaces using molecular dynamics computations. We show that the thermal conductance …
SA Shavalier, JD Gezelter - The Journal of Physical Chemistry B, 2023 - ACS Publications
Reverse nonequilibrium molecular dynamics simulations were used to study heat transport in solvated gold interfaces which have been functionalized with a low-molecular weight …
Metal nanocrystals exhibit important optoelectronic and photocatalytic functionalities in response to light. These dynamic energy conversion processes have been commonly …
T Devkota, BS Brown, G Beane, K Yu… - The Journal of chemical …, 2019 - pubs.aip.org
Metal nanostructures display several types of resonances. In the visible and near-IR spectral regions, there are localized surface plasmon resonances (LSPRs) that involve the coherent …
Molecular dynamics simulations of the villin headpiece subdomain HP36 have been carried out to examine relations between rates of vibrational energy transfer across non-covalently …
HD Pandey, DM Leitner - The Journal of Chemical Physics, 2017 - pubs.aip.org
Thermalization in molecular junctions and the extent to which it mediates thermal transport through the junction are explored and illustrated with computational modeling of …