79 citations · 269 across the 12 of their papers we have counts for
12 papers
Finite-size excess-entropy scaling for simple liquids
Mauricio Sevilla, Atreyee Banerjee, Robinson Cortes-Huerto
We introduce and validate a finite-size two-body excess entropy integral equation. By using analytical arguments and computer simulations of prototypical simple liquids, we show th…
Data-driven identification and analysis of the glass transition in polymer melts
Atreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer +1
Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental…
Finite-size scaling and thermodynamics of model supercooled liquids: Long-range concentration fluctuations and the role of attractive interactions
Atreyee Banerjee, Mauricio Sevilla, Joseph F. Rudzinski +1
We compute partial structure factors, Kirkwood-Buff integrals (KBIs) and chemical potentials of model supercooled liquids with and without attractive interactions. We aim at invest…
The role of pair correlation function in the dynamical transition predicted by the mode coupling theory
Manoj Kumar Nandi, Atreyee Banerjee, Chandan Dasgupta +1
In a recent study we have found that for a large number of systems the configuration entropy at pair level, , which is primarily determined by the structural information, v…
Validity of the Rosenfeld relationship: A comparative study of the network forming NTW model and other simple liquids
Atreyee Banerjee, Manoj Kumar Nandi, Sarika Maitra Bhattacharyya
In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the Lennard-Jones (LJ) system, its repulsive counterpart, the WCA system and a network forming…
Determination of onset temperature from the entropy for fragile to strong liquids
Atreyee Banerjee, Manoj Kumar Nandi, Srikanth Sastry +1
In this paper we establish a connection between the onset temperature of glassy dynamics with the change in the entropy for a wide range of model systems. We identify the crossing…
Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities
Atreyee Banerjee, Manoj Kumar Nandi, Srikanth Sastry +1
In this paper, we present a study of supercooled liquids interacting with the Lennard Jones (LJ) potential and the corresponding purely repulsive (Weeks-Chandler-Andersen or WCA) p…
Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy
Ujjwal Kumar Nandi, Atreyee Banerjee, Suman Chakrabarty +1
We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Bias…
Unraveling the success and failure of mode coupling theory from consideration of entropy
Manoj Kumar Nandi, Atreyee Banerjee, Shiladitya Sengupta +2
We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, th…
The role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials
Atreyee Banerjee, Shiladitya Sengupta, Srikanth Sastry +1
We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating…
Interplay between crystallization and glass transition in binary Lennard-Jones mixtures
Atreyee Banerjee, Suman Chakrabarty, Sarika Maitra Bhattacharyya
In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the comp…
Non-monotonic Size Dependence of Diffusion and Levitation Effect: A Mode Coupling Theory Analysis
Manoj Kumar Nandi, Atreyee Banerjee, Sarika Maitra Bhattacharyya
We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various int…