16 papers
Memory Control of Ice Growth During Non-Equilibrium Freezing of Water
Abhigyan Hazarika, Sudeep N. Punnathanam, Biman Bagchi +1
Freezing of supercooled water is a classic non-equilibrium problem, yet the influence of thermal history on crystallization remains unclear. Using molecular dynamics simulations wi…
Fragility from Enthalpy Fluctuations and Fictive-Temperature Dynamics
Biman Bagchi
Fragility and fictive temperature are two central measures of glass formation, but their connection is usually expressed indirectly through structural relaxation times or cooling-r…
From Freezing to Terminal Packing: A Puzzle and a Paradox
Biman Bagchi
A density-functional theory developed for equilibrium freezing also produces a high-density endpoint close to terminal packing. We revisit the nonlinear Ramakrishnan--Yussouff bifu…
Theory of Handedness Selection in Helices of Chiral Polymers and Biopolymers
Biman Bagchi
Helices are among the most common ordered structures in biological and synthetic polymers, but their formation involves more than local conformational preference. A finite helix mu…
Entropic Necks, Dynamic Crossovers, and Fragility in Supercooled Liquids
Biman Bagchi
The dramatic slowdown of dynamics in supercooled liquids is accompanied by a sequence of dynamical crossovers, most notably the transition from high-temperature collision-dominated…
Living Helices in Fluctuating Polymer Chains: Cooperative Nucleation, Dynamics, and Lifetime
Biman Bagchi
Helical segments in polymer chains are often transient, finite, and dynamically evolving, yet their origin and stability remain incompletely understood. Here we develop a minimal c…
Spatial Correlations Restore Zwanzig's Mean-Field Diffusion Result in Rugged Energy Landscapes
Biman Bagchi
Transport in disordered environments is often controlled not by typical fluctuations but by rare, extreme events that dominate long-time dynamics. In such settings, Zwanzig's class…
Microscopic Pathways to Helix Formation: Packing Stabilization and Sticky Interactions in Chiral Polymer Condensates
Biman Bagchi
Helices are not generic outcomes of polymer collapse. Collapsed conformations of semiflexible polymers with isotropic attractions typically form globules, toroids, or rod-like stru…
Stiffness induced structures and morphological transitions in semiflexible polymers
Biman Bagchi
Semiflexible polymers in poor solvents exhibit a rich variety of collapsed morphologies, including globules, toroids, and rodlike bundles, arising from the competition between attr…
Effects of Dynamic Disorder on Diffusion in Rugged Energy Landscapes
Biman Bagchi
Established theoretical studies of diffusion in rugged (or rough) potential surfaces have largely focused on quenched energy landscapes. Here we study diffusion on a rugged energy…
Diffusion in Rugged Energy Landscapes in the Presence of Spatial Correlations : A Surprising Route to Zwanzig's Mean-Field Prediction
Biman Bagchi
Diffusion in rugged free-energy landscapes is central to diverse problems in chemical physics, biomolecular dynamics, polymer transport and numerous disordered systems. Zwanzig's w…
From Frequency Dependent Specific Heat to Fictive Temperature of a Glassy Liquid
Biman Bagchi
Upon rapid quenching of temperature of a glass forming liquid, the system falls out of equilibrium due its finite relaxation time. Additionally, the relaxation becomes progressivel…
Diffusion-entropy scaling across dimensions
Nayana Venkatareddy, Mohd Moid, Prabal K. Maiti +1
A quantitative relationship between the diffusion coefficient of a tagged particle in a liquid and the entropy of that liquid has long been sought, as it would allow entrop…
Dynamics of Nonequilibrium Dimerization of Model Polymer Chains
Sangita Mondal, Ved Mahajan, Biman Bagchi
Dimerization and subsequent aggregation of polymers and biopolymers often occur under nonequilibrium conditions. When the initial state of the polymer is not collapsed or the final…
The Hydrophobic Interaction Induced Strengthening of Hydrogen Bond in Water-DMSO Binary Mixture
Sangita Mondal, Biman Bagchi
The lifetime of a hydrogen bond between water and dimethyl sulfoxide (DMSO) is found to be considerably longer than that between two water molecules in the neat water. This is coun…
Energy Transfer Mechanism Under Incoherent Light Excitation in noisy Environments: Memory Effects in Efficiency Control
Rajesh Dutta, Biman Bagchi
Fluctuations in the energy gap and coupling constants in and between chromophores can play important role in the absorption and energy transfer across a collection of two level sys…