Radiolysis‐Driven Evolution of Gold Nanostructures–Model Verification by Scale Bridging In Situ Liquid‐Phase Transmission Electron Microscopy and X‐Ray …
Utilizing ionizing radiation for in situ studies in liquid media enables unique insights into
nanostructure formation dynamics. As radiolysis interferes with observations, kinetic …
nanostructure formation dynamics. As radiolysis interferes with observations, kinetic …
[HTML][HTML] Computing chemical potentials of solutions from structure factors
B Cheng - The Journal of Chemical Physics, 2022 - pubs.aip.org
The chemical potential of a component in a solution is defined as the free energy change as
the amount of that component changes. Computing this fundamental thermodynamic …
the amount of that component changes. Computing this fundamental thermodynamic …
Computing chemical potentials of adsorbed or confined fluids
The chemical potential of adsorbed or confined fluids provides insight into their unique
thermodynamic properties and determines adsorption isotherms. However, it is often difficult …
thermodynamic properties and determines adsorption isotherms. However, it is often difficult …
Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions
We compute partial structure factors, Kirkwood–Buff integrals (KBIs) and chemical potentials
of model supercooled liquids with and without attractive interactions. We aim at investigating …
of model supercooled liquids with and without attractive interactions. We aim at investigating …
Estimation of the equilibrium free energy for glasses using the Jarzynski equality
HA Vinutha, D Frenkel - The Journal of Chemical Physics, 2021 - pubs.aip.org
The free energy of glasses cannot be estimated using thermodynamic integration as glasses
are intrinsically not in equilibrium. We present numerical simulations showing that, in …
are intrinsically not in equilibrium. We present numerical simulations showing that, in …