241 citations · 1.3k across the 35 of their papers we have counts for
15 papers · 1 filter
Topology of atomically thin soft ferroelectric membranes at finite temperature
John W. Villanova, Pradeep Kumar, Salvador Barraza-Lopez
One account of two-dimensional (2D) structural transformations in 2D ferroelectrics predicts an evolution from a structure with Pnm2 symmetry into a structure with square P4/nm…
Pressure and temperature dependence of solubility and surface adsorption of nitrogen in the liquid hydrocarbon bodies on Titan
Pradeep Kumar, Vincent F. Chevrier
We have studied the pressure and temperature dependence of solubility of nitrogen in methane and ethane using vapor-liquid equilibrium simulations of binary mixtures of nitrogen in…
Evolution of elastic moduli through a two-dimensional structural transformation
Alejandro Pacheco-Sanjuan, Tyler B. Bishop, Erin E. Farmer +2
We use a classical analytical and separable elastic energy landscape describing SnO monolayers to estimate the softening of elastic moduli through a mechanical instability occurrin…
Space-Time Correlations in the Orientational Order Parameter and the Orientational Entropy of Water
Pradeep Kumar, Sergey V. Buldyrev, H. Eugene Stanley
We introduce the spatial correlation function and temporal autocorrelation function of the local tetrahedral order parameter . Using computer simu…
Correspondence Between the Phase Diagrams of TIP5P Water and a Spherically Symmetric Repulsive Ramp Potential
Zhenyu Yan, Sergey V. Buldyrev, Pradeep Kumar +2
We perform molecular dynamics simulations of a well-known water model (the TIP5P pair potential) and a simple liquid model (a two-scale repulsive ramp potential) to compare the reg…
Absence of a Diffusion Anomaly in Water Perpendicular to Hydrophobic Nanoconfining Walls
Sungho Han, Pradeep Kumar, H. Eugene Stanley
We perform molecular dynamics simulations to investigate the diffusive motion of TIP5P water in the direction perpendicular to the two hydrophobic confining walls. To calculate the…
Thermal Conductivity Minimum: A New Water Anomaly
Pradeep Kumar, H. Eugene Stanley
We report a new anomaly of water, a minimum in the thermal conductivity in the supercooled region. Our findings are consistent with the presence of a liquid-liquid phase transition…
Structure of the First and Second Neighbor Shells of Water: Quantitative Relation with Translational and Orientational Order
Zhenyu Yan, Sergey V. Buldyrev, Pradeep Kumar +3
We perform molecular dynamics simulation of water using the TIP5P model to quantify structural order in both the first shell (defined by four nearest neighbors)and second shell (de…
Breakdown of the Stokes-Einstein Relation in Supercooled Water
Pradeep Kumar, S. V. Buldyrev, S. R. Becker +3
Supercooled water exhibits a breakdown of the Stokes-Einstein relation between the diffusion constant and the alpha relaxation time . For water simulated with the TIP5P an…
Predictions of Dynamic Behavior Under Pressure for Two Scenarios to Explain Water Anomalies
Pradeep Kumar, Giancarlo Franzese, H. Eugene Stanley
Using Monte Carlo simulations and mean field calculations for a cell model of water we find a dynamic crossover in the orientational correlation time from non-Arrhenius behavio…
A Physical Mechanism Underlying the Increase of Aqueous Solubility of Nonpolar Compounds and the Denaturation of Proteins upon Cooling
Sergey V. Buldyrev, Pradeep Kumar, H. Eugene Stanley
The increase of aqueous solubility of nonpolar compounds upon cooling and the cold denaturation of proteins are established experimental facts. Both phenomena have been hypothesize…
Effect of water-wall interaction potential on the properties of nanoconfined water
Pradeep Kumar, Francis W. Starr, Sergey V. Buldyrev +1
Much of the understanding of bulk liquids has progressed through study of the limiting case in which molecules interact via purely repulsive forces, such as a hard-core potential.…
Glass transition in biomolecules and the liquid-liquid critical point of water
P. Kumar, Z. Yan, L. Xu +5
Using molecular dynamics simulations, we investigate the relation between the dynamic transitions of biomolecules (lysozyme and DNA) and the dynamic and thermodynamic properties of…
Molecular Dynamics Study of Orientational Cooperativity in Water
Pradeep Kumar, Giancarlo Franzese, Sergey V. Buldyrev +1
Recent experiments on liquid water show collective dipole orientation fluctuations dramatically slower then expected (with relaxation time 50 ns) [D. P. Shelton, Phys. Rev. B {…
Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates
Pradeep Kumar, Sergey V. Buldyrev, Francis W. Starr +2
We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separate…