Faculty publications (TSU): Recent submissions

  • Dimensionality dependence of aging in kinetics of diffusive phase separation: Behavior of order-parameter autocorrelation 
    Midya, Jiarul; Majumder, Suman; Das, Subir K. (American Physical Society, 2015)
    Behavior of two-time autocorrelation during the phase separation in solid binary mixtures is studied via numerical solutions of the Cahn-Hilliard equation as well as Monte Carlo simulations of the Ising model. Results are ...
  • Coarsening in fluid phase transitions 
    Das, Subir K.; Roy, Sutapa; Midya, Jiarul (Elsevier France-Editions Scientifiques Medicales Elsevier, 2015)
    We review the understanding of the kinetics of fluid phase separation in various space dimensions. Morphological differences, percolating or disconnected domains, based on overall composition in a binary liquid or on density ...
  • Role of initial correlation in coarsening of a ferromagnet 
    Chakraborty, Saikat; Das, Subir K. (Springer, 2015)
    We study the dynamics of ordering in ferromagnets via Monte Carlo simulations of the Ising model, employing the Glauber spin-flip mechanism, in space dimensions d = 2 and 3, on square and simple cubic lattices. Results for ...
  • Unraveling the success and failure of mode coupling theory from consideration of entropy 
    Nandi, Manoj Kumar; Banerjee, Atreyee; Sengupta, Shiladitya; Sastry, Srikanth; Bhattacharyya, Sarika Maitra (American Institute of Physics, 2015)
    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, the Adam-Gibbs (AG) relation, based on an ...
  • Stochastic approach to plasticity and yield in amorphous solids 
    Hentschel, H. G. E.; Jaiswal, Prabhat K.; Procaccia, Itamar; Sastry, Srikanth (American Physical Society, 2015)
    We focus on the probability distribution function (PDF) P(Delta gamma; gamma) where Delta gamma are the measured strain intervals between plastic events in a athermal strained amorphous solids, and. measures the accumulated ...
  • Kinetic and Thermodynamic Fragilities of Square Well Fluids with Tunable Barriers to Bond Breaking 
    Parmar, Anshul D. S.; Sastry, Srikanth (American Chemical Society, 2015)
    An understanding of the origin of fragility, which the rapidity of change of viscosity and related dynamical quantities, has been sought by a variety of approaches over the years. Within the framework of the Adam Gibbs ...
  • Free volume under shear 
    Maiti, Moumita; Vinutha, H. A.; Sastry, Srikanth; Heussinger, Claus (American Institute of Physics, 2015)
    Using an athermal quasistatic simulation protocol, we study the distribution of free volumes in sheared hard-particle packings close to, but below, the random-close packing threshold. We show that under shear, and independent ...
  • Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States 
    Palazzesi, Ferruccio; Prakash, Meher K.; Bonomi, Massimiliano; Barducci, Alessandro (American Chemical Society, 2015)
    Molecular Dynamics (MD) plays a fundamental role in characterizing protein disordered states that are emerging as crucial actors in many biological processes. Here we assess the accuracy of three current force-fields in ...
  • Effect of drift, selection and recombination on the equilibrium frequency of deleterious mutations 
    John, Sona; Jain, Kavita (Academic Press Ltd- Elsevier Science Ltd, 2015)
    We study the stationary state of a population evolving under the action of random genetic drift, selection and recombination in which both deleterious and reverse beneficial mutations can occur. We find that the equilibrium ...
  • Response of Polygenic Traits Under Stabilizing Selection and Mutation When Loci Have Unequal Effects 
    Jain, Kavita; Stephan, Wolfgang (Genetics Society of America, 2015)
    We consider an infinitely large population under stabilizing selection and mutation in which the allelic effects determining a polygenic trait vary between loci. We obtain analytical expressions for the stationary genetic ...
  • Real eigenvalues of non-Gaussian random matrices and their products 
    Hameed, Sajna; Jain, Kavita; Lakshminarayan, Arul (IOP Publishing Ltd, 2015)
    We study the properties of the eigenvalues of real random matrices and their products. It is known that when the matrix elements are Gaussian-distributed independent random variables, the fraction of real eigenvalues tends ...
  • Random Local Attraction Driven Metal-Superconductor Transition 
    Kamar, Naushad Ahmad; Vidhyadhiraja, N. S. (Physical Society of Japan, 2015)
    In this paper, we investigate the disordered attractive Hubbard model by combining dynamical mean field theory, coherent potential approximation and iterated perturbation theory for superconductivity as an impurity solver. ...
  • Spectral changes in layered f-electron systems induced by Kondo hole substitution in the boundary layer 
    Sen, Sudeshna; Moreno, J.; Jarrell, M.; Vidhyadhiraja, N. S. (American Physical Society, 2015)
    We investigate the effect of disorder on the dynamical spectrum of layered f-electron systems. With random dilution of f sites in a single Kondo insulating layer, we explore the range and extent to which Kondo hole incoherence ...
  • Finite-cluster typical medium theory for disordered electronic systems 
    Ekuma, C. E.; Moore, C.; Terletska, H.; Tam, K. -M.; Moreno, J.; Jarrell, M.; Vidhyadhiraja, N. S. (American Physical Society, 2015)
    We use the recently developed typical medium dynamical cluster (TMDCA) approach [Ekuma et al., Phys. Rev. B 89, 081107 (2014)] to perform a detailed study of the Anderson localization transition in three dimensions for the ...
  • Metal-insulator transition in a weakly interacting disordered electron system 
    Ekuma, C. E.; Yang, S. -X.; Terletska, H.; Tam, K. -M.; Vidhyadhiraja, N. S.; Moreno, J.; Jarrell, M. (American Physical Society, 2015)
    The interplay of interactions and disorder is studied using the Anderson-Hubbard model within the typical medium dynamical cluster approximation. Treating the interacting, nonlocal cluster self-energy [Sigma(c)[(g) over ...
  • Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands 
    Mammen, Nisha; de Gironcoli, Stefano; Narasimhan, Shobhana (American Institute of Physics, 2015)
    We suggest that the reactivity of Au nanocatalysts can be greatly increased by doping the oxide substrate on which they are placed with an electron donor. To demonstrate this, we perform density functional theory calculations ...
  • Graphene oxide as an optimal candidate material for methane storage 
    Chouhan, Rajiv K.; Ulman, Kanchan; Narasimhan, Shobhana (American Institute of Physics, 2015)
    Methane, the primary constituent of natural gas, binds too weakly to nanostructured carbons to meet the targets set for on-board vehicular storage to be viable. We show, using density functional theory calculations, that ...
  • Change of cobalt magnetic anisotropy and spin polarization with alkanethiolates self-assembled monolayers 
    Campiglio, Paolo; Breitwieser, Romain; Repain, Vincent; Guitteny, Solene; Chacon, Cyril; Bellec, Amandine; Lagoute, Jerome; Girard, Yann; Rousset, Sylvie; Sassella, Adele; Imam, Mighfar; Narasimhan, Shobhana (IOP Publishing Ltd, 2015)
    We demonstrate that the deposition of a self-assembled monolayer of alkanethiolates on a 1 nm thick cobalt ultrathin film grown on Au(111) induces a spin reorientation transition from in-plane to out-of-plane magnetization. ...
  • Structure of Cr monolayer on Ag(001): A buried two-dimensional c(2 x 2) antiferromagnet 
    Das, Jayanta; Biswas, Sananda; Kundu, Asish K.; Narasimhan, Shobhana; Menon, Krishnakumar S. R. (American Physical Society, 2015)
    The growth, morphology, and magnetic structure of ultrathin Cr films grown on a Ag(001) substrate are studied using low-energy electron diffraction (LEED), angle-resolved photoemission spectroscopy (ARPES), and ab initio ...
  • Liquid–liquid phase transition in supercooled silicon 
    Vasisht, Vishwas V.; Srikanth Sastry (Wiley, 2015-04-17)

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