Search Results - "Singh, Rakesh S"

Nucleation of a Stable Solid from Melt in the Presence of Multiple Metastable Intermediate Phases: Wetting, Ostwald’s Step Rule, and Vanishing Polymorphs by Santra, Mantu, Singh, Rakesh S, Bagchi, Biman

“…In many systems, nucleation of a stable solid may occur in the presence of other (often more than one) metastable phases. These may be polymorphic solids or…”
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Molecular modeling and structural characterization of a high glycine-tyrosine hair keratin associated protein by Singh, Rakesh S, Palmer, Jeremy C, Pudney, Paul D A, Paul, Prem K C, Johannessen, Christian, Debenedetti, Pablo G, Raut, Janhavi, Lee, Ken, Noro, Massimo, Tiemessen, David

“…High glycine-tyrosine (HGT) proteins are an important constituent of the keratin associated proteins (KAPs) present in human hair. The glassy state physics of…”
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Effects of disulfide bridges and backbone connectivity on water sorption by protein matrices by Kim, Sang Beom, Singh, Rakesh S., Paul, Prem K. C., Debenedetti, Pablo G.

“…Understanding the water sorption behavior of protein powders is important in applications such as the preservation of protein-based pharmaceuticals. Most…”
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Anomalous Vapor and Ice Nucleation in Water at Negative Pressures: A Classical Density Functional Theory Study by Singh, Yuvraj, Santra, Mantu, Singh, Rakesh S.

“…In contrast to the abundance of work on the anomalous behavior of water, the relationship between the water’s thermodynamic anomalies and kinetics of phase…”
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Anomalous scattering in supercooled ST2 water by Guo, Jingxiang, Singh, Rakesh S., Palmer, Jeremy C.

“…Large-scale molecular dynamics (MD) simulations of systems containing up to 256,000 molecules were performed to investigate the scattering behaviour of the ST2…”
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Thermodynamic Anomalies in Stretched Water by Altabet, Y. Elia, Singh, Rakesh S, Stillinger, Frank H, Debenedetti, Pablo G

“…Via molecular dynamics simulations of the TIP4P/2005 water model, we study liquid water’s anomalous behavior at large negative pressure produced through…”
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Density and bond-orientational relaxations in supercooled water by Palmer, Jeremy C., Singh, Rakesh S., Chen, Renjie, Martelli, Fausto, Debenedetti, Pablo G.

“…Recent computational studies have reported evidence of a metastable liquid-liquid phase transition (LLPT) in molecular models of water under deeply supercooled…”
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Microscopic Origin of Hysteresis in Water Sorption on Protein Matrices by Kim, Sang Beom, Sparano, Evan M, Singh, Rakesh S, Debenedetti, Pablo G

“…Despite the importance of water sorption isotherms for a fundamental understanding of protein–water interactions, the microscopic origin of hysteresis between…”
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Modeling soft core-shell colloids using stochastic hard collision dynamics by Singh, Rakesh S., Hernandez, Rigoberto

“…[Display omitted] •We characterize the structure and thermodynamics of hard-core soft-shell (HCSS) colloids.•We extended earlier work to effectively model HCSS…”
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Manifestations of the possible thermodynamic origin of water's anomalies in non-classical vapor nucleation at negative pressures by Singh, Yuvraj, Santra, Mantu, Singh, Rakesh S

“…Over the years, various scenarios -- such as the stability-limit conjecture (SLC), two critical point (TCP), critical point-free (CPF), and singularity-free…”
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Effects of quenched disorder on the kinetics and pathways of phase transition in a soft colloidal system by Ramesh, Gadha, Santra, Mantu, Singh, Rakesh S

“…Although impurities are unavoidable in real-world and experimental systems, most numerical studies on nucleation focus on pure (impurity-free) systems. As a…”
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Anomalous Vapor and Ice Nucleation in Water at Negative Pressures: A Classical Density Functional Theory Study by Singh, Yuvraj, Santra, Mantu, Singh, Rakesh S

“…In contrast to the abundance of work on the anomalous behavior of water, the relationship between the water's thermodynamic anomalies and kinetics of phase…”
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Dynamic and thermodynamic anomalies of water at low temperatures: from bulk water to reverse micelles and DNA hydration layer by Jana, Biman, Singh, Rakesh S., Biswas, Rajib, Bagchi, Biman

“…Liquid water is known to exhibit remarkable thermodynamic and dynamic anomalies, ranging from solvation properties in supercritical state to an apparent…”
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Microscopic pathways of transition from low-density to high-density amorphous phase of water by Ramesh, Gadha, Mahajan, Ved, Koner, Debasish, Singh, Rakesh S

“…Much attention has been devoted to understanding the microscopic pathways of phase transition between two equilibrium condensed phases (such as liquids and…”
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Manifestations of the structural origin of supercooled water's anomalies in the heterogeneous relaxation on the potential energy landscape by Mondal, Arijit, R, Gadha, Singh, Rakesh S

“…Liquid water is well-known for its intriguing thermodynamic anomalies in the supercooled state. The phenomenological two-state models - based on the assumption…”
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Polymorph selection during crystallization of a model colloidal fluid with a free energy landscape containing a metastable solid by Santra, Mantu, Singh, Rakesh S, Bagchi, Biman

“…Phys. Rev. E 98, 032606 (2018) The free energy landscape responsible for crystallization can be complex even for relatively simple systems like hard sphere and…”
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Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water by Singh, Rakesh S, Bagchi, Biman

“…The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the…”
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Orientational order as the origin of the long-range hydrophobic effect by Banerjee, Saikat, Singh, Rakesh S, Bagchi, Biman

“…The long range attractive force between two hydrophobic surfaces immersed in water is observed to decrease exponentially with their separation -- this…”
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Solid-solid collapse transition in a two dimensional model molecular system by Singh, Rakesh S, Bagchi, Biman

“…Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such…”
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Notes on the Hybrid Monte Carlo Method by Palmer, Jeremy C, Haji-Akbari, Amir, Singh, Rakesh S, Martelli, Fausto, Car, Roberto, Panagiotopoulos, Athanassios Z, Debenedetti, Pablo G

“…We discuss the detailed balance condition for hybrid Monte Carlo method…”
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