arXiv subjects

Alexander Grosberg

Publications and source records attributed to Alexander Grosberg.

3 recordsLinked to original sources

arXiv2020

Three-body problem for Langevin dynamics with different temperatures

A mixture of Brownian particles at different temperatures has been a useful model for studying the out-of-equilibrium properties of systems made up of microscopic components with differing levels of activity. This model was previously studied analytically for two-particle interactions in the dilute limit, yielding a Boltzmann-like two-particle distribution with an effective temperature. Like the Newtonian two and three-body problems, we ask here whether the two-particle results can be extended to three-particle interactions to get the three-particle distributions. By considering the special solvable case of pairwise quadratic interactions, we show that, unlike the two-particle distribution, the three-particle distribution cannot in general be Boltzmann-like with an effective temperature. We instead find that the steady state distribution of any two particles in a triplet depends on the properties of and interactions with the third particle, leading to some unexpected behaviors not present in equilibrium.

cond-mat.soft↗

arXiv2003

Solvation vs. freezing in a heteropolymer globule

We address the response of a random heteropolymer to preferential solvation of certain monomer types at the globule-solvent interface. For each set of monomers that can comprise the molecule's surface, we represent the ensemble of allowed configurations by a Gaussian distribution of energy levels, whose mean and variance depend on the set's composition. Within such a random energy model, mean surface composition is proportional to solvation strength under most conditions. The breadth of this linear response regime arises from approximate statistical independence of surface and volume energies. For a diverse set of monomer types, the excess of solvophilic monomers at the surface is large only for very strong solvent preference, even in the ground state.

cond-mat.soft↗

arXiv2001

Giant Charge Inversion of a Macroion Due to Multivalent Counterions and Monovalent Coions: Molecular Dynamics Study

We report molecular dynamics simulation of the (overall neutral) system consisting of an immobile macroion surrounded by the electrolyte of multivalent counterions and monovalent coions. As expected theoretically, counterions adsorb on the macroion surface in the amount much exceeding neutralization requirement, thus effectively inverting the sign of the macroion charge. We find two conditions necessary for charge inversion, namely, counterions must be multivalently charged and Coulomb interactions must be strong enough compared to thermal energy. On the other hand, coion condensation on the multivalent counterions similar to Bjerrum pairing is the major factor restricting the amount of charge inversion. Depending on parameters, we observe inverted charge up to about 200% the original charge of the macroion in absolute value. Our findings are consistent with the theory of "giant charge inversion" [Phys.Rev.Lett., v. 85, 1568 (2000)].

cond-mat.soft↗