5 papers
LCST and Closed-Loop Phase Behavior in Non-Associating Fully Symmetric Multicomponent Polymer Systems
Artem Petrov, Alfredo Alexander-Katz
Multicomponent liquids can phase separate upon heating, exhibiting a lower critical solution temperature (LCST). Moreover, a narrow class of materials can undergo disordering trans…
Surface-Adsorbed Nanodroplets of Symmetric Diblock Copolymers Form Versatile and Stimuli-Responsive Nanostructures
Artem Petrov, Guillermo A. Hernández-Mendoza, Alfredo Alexander-Katz
Block copolymers often create droplets when placed on a substrate. Such nanostructured droplets can be arranged into regular microstructured arrays, thereby forming hierarchically…
Rapid Neural Network Prediction of Linear Block Copolymer Free Energies
Ian Chen, Alfredo Alexander-Katz
Free energies are fundamental quantities governing phase behavior and thermodynamic stability in polymer systems, yet their accurate computation often requires extensive simulation…
SAFT-P: A plaquette level perturbation for self-assembly in patchy colloids
Hamza Coban, Alfredo Alexander-Katz
We introduce SAFT-P, a plaquette-level extension of Statistical Associating Fluid Theory for patchy particles. By treating local clusters as associating superparticles and contract…
Potential of mean force and underscreening of polarizable colloids in concentrated electrolytes
Emily Krucker-Velasquez, Martin Z. Bazant, Alfredo Alexander-Katz +1
This study uses advanced numerical methods to estimate the mean force potential (PMF) between charged, polarizable colloidal particles in dense electrolytes. We observe that when t…