<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Banerjee, Atreyee</style></author><author><style face="normal" font="default" size="100%">Chakrabarty, Suman</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Composition dependence of the glass forming ability in binary mixtures: the role of demixing entropy</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2016</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">3</style></number><publisher><style face="normal" font="default" size="100%">AMER INST PHYSICS</style></publisher><pub-location><style face="normal" font="default" size="100%">1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA</style></pub-location><volume><style face="normal" font="default" size="100%">145</style></volume><pages><style face="normal" font="default" size="100%">Article Number: 034503</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;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). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger ``A'' particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the ``B'' particles make it a good glass former. The locally favoured structure around ``B'' particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon. Published by AIP Publishing.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;2.894&lt;/p&gt;</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Acharya, Sayantan</style></author><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics</style></title><secondary-title><style face="normal" font="default" size="100%">Journal Of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2017</style></year><pub-dates><date><style  face="normal" font="default" size="100%">APR </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">146</style></volume><pages><style face="normal" font="default" size="100%">134504</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;We present a study of the dynamics of small solute particles in a solvent medium where the solute is much smaller in size, mimicking the diffusion of small particles in crowded environment. The solute exhibits Fickian diffusion arising from non-Gaussian Van Hove correlation function. Our study shows that there are at least two possible origins of this non-Gaussian behaviour: the decoupling of the solute-solvent dynamics and the intermittency in the solute motion, the latter playing a dominant role. In the former scenario when averaged over time long enough to explore different solvent environments, the dynamics recovers the Gaussian nature. In the case of intermittent dynamics the non-Gaussianity remains even after long averaging and the Gaussian behaviour is obtained at a much longer time. Our study further shows that only for an intermediate attractive solute-solvent interaction the dynamics of the solute is intermittent. The intermittency disappears for weaker or stronger attractions. Published by AIP Publishing.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">13</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.843</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Acharya, Sayantan</style></author><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics (vol 146, 134504, 2017)</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">151</style></volume><language><style face="normal" font="default" size="100%">eng</style></language><issue><style face="normal" font="default" size="100%">6</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;2.997&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Kob, Walter</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Connecting real glasses to mean-field models</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAR</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">154</style></volume><pages><style face="normal" font="default" size="100%">094506</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;We propose a novel model for a glass-forming liquid, which allows us to switch in a continuous manner from a standard three-dimensional liquid to a fully connected mean-field model. This is achieved by introducing k additional particle-particle interactions, which thus augments the effective number of neighbors of each particle. Our computer simulations of this system show that the structure of the liquid does not change with the introduction of these pseudo-neighbors and by means of analytical calculations, and we determine the structural properties related to these additional neighbors. We show that the relaxation dynamics of the system slows down very quickly with the increase in k and that the onset and the mode-coupling temperatures increase. The systems with high values of k follow the mode-coupling theory power law behavior for a larger temperature range compared to the ones with lower values of k. The dynamic susceptibility indicates that the dynamic heterogeneity decreases with the increase in k, whereas the non-Gaussian parameter is independent of it. Thus, we conclude that with the increase in the number of pseudo-neighbors, the system becomes more mean-field-like. By comparing our results with previous studies on mean-field-like systems, we come to the conclusion that the details of how the mean-field limit is approached are important since they can lead to different dynamical behavior in this limit.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">9</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">3.488
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Patel, Palak</style></author><author><style face="normal" font="default" size="100%">Nandi, Manoj Kumar</style></author><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Effective structure of a system with continuous polydispersity</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">154</style></volume><pages><style face="normal" font="default" size="100%">034503</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;In a system of N particles, with continuous size polydispersity, there exists an N(N - 1) number of partial structure factors, making it analytically less tractable. A common practice is to treat the system as an effective one component system, which is known to exhibit an artificial softening of the structure. The aim of this study is to describe the system in terms of M pseudospecies such that we can avoid this artificial softening but, at the same time, have a value of M &amp;lt;&amp;lt; N. We use potential energy and pair excess entropy to estimate an optimum number of species, M-0. We then define the maximum width of polydispersity, Delta sigma (0), that can be treated as a monodisperse system. We show that M-0 depends on the degree and type of polydispersity and also on the nature of the interaction potential, whereas Delta sigma (0) weakly depends on the type of polydispersity but shows a stronger dependence on the type of interaction potential. Systems with a softer interaction potential have a higher tolerance with respect to polydispersity. Interestingly, M-0 is independent of system size, making this study more relevant for bigger systems. Our study reveals that even 1% polydispersity cannot be treated as an effective monodisperse system. Thus, while studying the role of polydispersity by using the structure of an effective one component system, care must be taken in decoupling the role of polydispersity from that of the artificial softening of the structure.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">3.488
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Patel, Palak</style></author><author><style face="normal" font="default" size="100%">Moid, Mohd</style></author><author><style face="normal" font="default" size="100%">Nandi, Manoj Kumar</style></author><author><style face="normal" font="default" size="100%">Sengupta, Shiladitya</style></author><author><style face="normal" font="default" size="100%">Karmakar, Smarajit</style></author><author><style face="normal" font="default" size="100%">Maiti, Prabal K.</style></author><author><style face="normal" font="default" size="100%">Dasgupta, Chandan</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">156</style></volume><pages><style face="normal" font="default" size="100%">014503</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.488</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Anwar, Ehtesham</style></author><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Patel, Palak</style></author><author><style face="normal" font="default" size="100%">Kumawat, Sanket</style></author><author><style face="normal" font="default" size="100%">Maitra Bhattacharyya, Sarika</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Dynamic signature of the thermodynamic transition in a novel mean field system</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">163</style></volume><pages><style face="normal" font="default" size="100%">084510</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Understanding the connection between thermodynamics and dynamics in glass-forming liquids remains a central challenge in condensed matter physics. In this study, we investigate a novel model system that enables a continuous crossover from a standard three dimensional liquid to a fully connected mean field like system by introducing pseudo neighbors. These pseudo neighbors enhance the effective connectivity of the system without altering its local structure. While their presence slows down the dynamics, they influence thermodynamic properties even more significantly. In particular, the configurational entropy obtained via thermodynamic integration vanishes at a temperature much higher than the temperature where the dynamics begin to slow down, leading to a clear breakdown of the Adam-Gibbs relation. To uncover a possible dynamical signature of this thermodynamic transition, we analyze bond breakage dynamics. Unlike real-real bonds, which decay similarly in both the parent Kob-Andersen model and its mean field variant, real-pseudo bonds exhibit long lived, persistent behavior with strong temperature dependence. These bonds do not fully decay over time, leading to a finite saturation value of the bond breakage correlation function. Remarkably, we show that the number of surviving pseudo bonds can be analytically estimated and correlates directly with the thermodynamic transition temperature T-K. We propose a phenomenological relation between T-K and the number of surviving pseudo-bonds, establishing a novel link between thermodynamic and dynamic observables. Our results suggest that these persistent pseudo bonds serve as a robust dynamical signature of the thermodynamic transition, and the system might have properties analogous to those of randomly bonded ultrastable glasses.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">8</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	3.8&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Kumawat, Sanket</style></author><author><style face="normal" font="default" size="100%">Sharma, Mohit</style></author><author><style face="normal" font="default" size="100%">Nandi, Ujjwal Kumar</style></author><author><style face="normal" font="default" size="100%">Tah, Indrajit</style></author><author><style face="normal" font="default" size="100%">Bhattacharyya, Sarika Maitra</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Growth of structural lengthscale in Kob-Andersen binary mixtures: Role of medium range order</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2025</style></year><pub-dates><date><style  face="normal" font="default" size="100%">NOV </style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">163</style></volume><pages><style face="normal" font="default" size="100%">204505</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	A central and extensively debated question in glass physics concerns whether a single, growing lengthscale fundamentally controls glassy dynamics, particularly in systems lacking obvious structural motifs such as the Kob-Andersen binary Lennard-Jones (KALJ) model. In this work, we investigate structural and dynamical lengthscales in supercooled liquids using the KALJ model in two compositions: 80:20 and 60:40. We compute the dynamical lengthscale from displacement-displacement correlation functions and observe a consistent growth as temperature decreases. To explore the static counterpart, we use a structural order parameter (SOP) based on the mean field caging potential. While this SOP is known to predict short time dynamics effectively, its bare correlation function reveals minimal spatial growth. Motivated by recent findings that long time dynamics reflect collective rearrangements, we perform spatial coarse-graining of the SOP and identify an optimal lengthscale L-max that maximizes structure-dynamics correlation. We show that the structural correlation length derived from SOP coarse-grained over L-max exhibits clear growth with cooling and closely tracks the dynamical lengthscale, especially for A particles in the 80:20 mixture and for both A and B particles in the 60:40 system. Our results reconcile the previously observed absence of static length growth in the KALJ model by highlighting the necessity of intermediate range structural descriptors. Furthermore, we find that the particles with larger structural length growth also correspond to species with latent crystallization tendencies, suggesting a possible link between structural order, dynamics, and incipient crystallization.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">20</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
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	3.8&lt;/p&gt;
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