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Articles 1 - 14 of 14
Full-Text Articles in Physics
Steady States Of A Nonequilibrium Lattice Gas, Edward Lyman, Beate Schmittmann
Steady States Of A Nonequilibrium Lattice Gas, Edward Lyman, Beate Schmittmann
Beate Schmittmann
We present a Monte Carlo study of a lattice gas driven out of equilibrium by a local hopping bias. Sites can be empty or occupied by one of two types of particles, which are distinguished by their response to the hopping bias. All particles interact via excluded volume and a nearest-neighbor attractive force. The main result is a phase diagram with three phases: a homogeneous phase and two distinct ordered phases. Continuous boundaries separate the homogeneous phase from the ordered phases, and a first-order line separates the two ordered phases. The three lines merge in a nonequilibrium bicritical point.
Systematic, Multisite Short-Range-Order Corrections To The Electronic Structure Of Disordered Alloys From First Principles: The Kkr Nonlocal Cpa From The Dynamical Cluster Approximation, D. A. Biava, Subhradip Ghosh, Duane D. Johnson, W. A. Shelton, Andrei V. Smirnov
Systematic, Multisite Short-Range-Order Corrections To The Electronic Structure Of Disordered Alloys From First Principles: The Kkr Nonlocal Cpa From The Dynamical Cluster Approximation, D. A. Biava, Subhradip Ghosh, Duane D. Johnson, W. A. Shelton, Andrei V. Smirnov
Duane D. Johnson
Although the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) is used widely to configurationally average and get electronic structures and energies of disordered alloys, a single-site CPA misses local environment effects, including short-range order (SRO). A proposed nonlocal CPA (NLCPA) recovers translational invariance of the effective medium via k-space coarse graining from the dynamical cluster approximation (DCA), where corrections are systematic as cluster size increases. We implement a first-principles KKR-NLCPA/DCA and show the effects of environment, including SRO, on the electronic structures of fcc CuAu and bcc NiAl.
Genetic Programming For Multitimescale Modeling, Kumara Sastry, Duane D. Johnson, David E. Goldberg, Pascal Bellon
Genetic Programming For Multitimescale Modeling, Kumara Sastry, Duane D. Johnson, David E. Goldberg, Pascal Bellon
Duane D. Johnson
A bottleneck for multitimescale thermally activated dynamics is the computation of the potential energy surface. We explore the use of genetic programming (GP) to symbolically regress a mapping of the saddle-point barriers from only a few calculated points via molecular dynamics, thereby avoiding explicit calculation of all barriers. The GP-regressed barrier function enables use of kinetic Monte Carlo to simulate real-time kinetics (seconds to hours) based upon realistic atomic interactions. To illustrate the concept, we apply a GP regression to vacancy-assisted migration on a surface of a concentrated binary alloy (from both quantum and empirical potentials) and predict the diffusion …
Exact Dynamics Of A Reaction-Diffusion Model With Spatially Alternating Rates, M. Mobilia, Beate Schmittmann, R. K. P. Zia
Exact Dynamics Of A Reaction-Diffusion Model With Spatially Alternating Rates, M. Mobilia, Beate Schmittmann, R. K. P. Zia
Beate Schmittmann
We present the exact solution for the full dynamics of a nonequilibrium spin chain and its dual reaction-diffusion model, for arbitrary initial conditions. The spin chain is driven out of equilibrium by coupling alternating spins to two thermal baths at different temperatures. In the reaction-diffusion model, this translates into spatially alternating rates for particle creation and annihilation, and even negative “temperatures” have a perfectly natural interpretation. Observables of interest include the magnetization, the particle density, and all correlation functions for both models. Two generic types of time dependence are found: if both temperatures are positive, the magnetization, density, and correlation …
Anomalous Nucleation Far From Equilibrium, I. T. Georgiev, Beate Schmittmann, R. K. P. Zia
Anomalous Nucleation Far From Equilibrium, I. T. Georgiev, Beate Schmittmann, R. K. P. Zia
Beate Schmittmann
We present precision Monte Carlo data and analytic arguments for an asymmetric exclusion process, involving two species of particles driven in opposite directions on a 2×L lattice. To resolve a stark discrepancy between earlier simulation data and an analytic conjecture, we argue that the presence of a single macroscopic cluster is an intermediate stage of a complex nucleation process: in smaller systems, this cluster is destabilized while larger systems form multiple clusters. Both limits lead to exponential cluster size distributions, controlled by very different length scales.
Crossover Energetics For Halogenated Si(100): Vacancy Line Defects, Dimer Vacancy Lines, And Atom Vacancy Lines, G. J. Xu, Nikolai A. Zarkevich, Abhishek Agrawal, A. W. Signore, B. R. Trenhaile, Duane D. Johnson, J. H. Weaver
Crossover Energetics For Halogenated Si(100): Vacancy Line Defects, Dimer Vacancy Lines, And Atom Vacancy Lines, G. J. Xu, Nikolai A. Zarkevich, Abhishek Agrawal, A. W. Signore, B. R. Trenhaile, Duane D. Johnson, J. H. Weaver
Duane D. Johnson
We investigated surface patterning of I-Si(100)-(2×1) both experimentally and theoretically. Using scanning tunneling microscopy, we first examined I destabilization of Si(100)-(2×1) at near saturation. Dimer vacancies formed on the terraces at 600 K, and they grew into lines that were perpendicular to the dimer rows, termed vacancy line defects. These patterns were distinctive from those induced by Cl and Br under similar conditions since the latter formed atom and dimer vacancy lines that were parallel to the dimer rows. Using first-principles density functional theory, we determined the steric repulsive interactions associated with iodine and showed how the observed defect patterns …
Size-Driven Domain Reorientation In Hydrothermally Derived Lead Titanate Nanoparticles, Zhiyuan Ye, Elliot B. Slamovich, Alexander H. King
Size-Driven Domain Reorientation In Hydrothermally Derived Lead Titanate Nanoparticles, Zhiyuan Ye, Elliot B. Slamovich, Alexander H. King
Alexander H. King
High-resolution transmission electron microscopy studies of hydrothermally derived platelike lead titanate nanoparticles reveal that below a critical size of approximately 70 nm, the single ferroelectric domain polarization axis reorients from perpendicular to parallel to the plate. We suggest that during particle growth, ions in the hydrothermal processing medium compensate for the ferroelectric depolarization energy. When the processing medium is removed by washing and drying, single domain nanoparticles minimize their depolarization energy by c-axis flipping.
Importance Of Thermal Disorder On The Properties Of Alloys: Origin Of Paramagnetism And Structural Anomalies In Bcc-Based Fe1−Xalx, Andrei V. Smirnov, W. A. Shelton, Duane D. Johnson
Importance Of Thermal Disorder On The Properties Of Alloys: Origin Of Paramagnetism And Structural Anomalies In Bcc-Based Fe1−Xalx, Andrei V. Smirnov, W. A. Shelton, Duane D. Johnson
Duane D. Johnson
Fe1−xAlx exhibits interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well studied, these properties are not understood. In stoichiometric B2 FeAl, including the effects of partial long-range order, i.e., thermal antisites, we find the experimentally observed paramagnetic response with nonzero local moments, in contrast to past investigations that find either a ferromagnetic or nonmagnetic state, both inconsistent with experiment. Moreover, from this magnetochemical coupling, we are able to determine the origins of the observed lattice constant anomalies found in Fe1−xAlx for x≃0.25–0.5 under various …
Mechanism Of Structural Transformation In Bismuth Titanate, Sudhanshu Mallick, Keith J. Bowman, Alexander H. King
Mechanism Of Structural Transformation In Bismuth Titanate, Sudhanshu Mallick, Keith J. Bowman, Alexander H. King
Alexander H. King
Sodium-doped bismuth titanate undergoes a transformation from Bi4Ti3O12 to Na0.5Bi4.5Ti4O15 on heating in air at temperatures exceeding 800 °C. This transformation proceeds through the intermediate Na0.5Bi8.5Ti7O27 structure which is an intergrowth phase of the two. High-resolution transmission electron microscopy was used to study this transformation. From the Moiré pattern that was obtained, the crystallographic orientation of the transformation front has been determined and a mechanism is proposed for this structural transformation.
Manifestation Of The Color Glass Condensate In Particle Production At Rhic, Kirill Tuchin
Manifestation Of The Color Glass Condensate In Particle Production At Rhic, Kirill Tuchin
Kirill Tuchin
We discuss general properties of the Color Glass Condensate. We show that predictions for particle production in p(d)A and AA collisions derived from these properties are in agreement with data collected at RHIC.
Development Of Chaos In The Color Glass Condensate, Kirill Tuchin
Development Of Chaos In The Color Glass Condensate, Kirill Tuchin
Kirill Tuchin
Noting that the number of gluons in the hadron wave function is discrete, and their formation in the chain of small x evolution occurs over discrete rapidity intervals of Dy ' 1/as, we formulate the discrete version of the Balitsky–Kovchegov evolution equation and show that its solution behaves chaotically in the phenomenologically interesting kinematic region.
Open And Hidden Charm Production In Pa Collisions, Kirill Tuchin
Open And Hidden Charm Production In Pa Collisions, Kirill Tuchin
Kirill Tuchin
We discuss the production of charmed mesons and J/Ψ in p(d)A collisions at high energies. We argue that when the saturation scale Qs characterizing the parton density in a nucleus exceeds the quark mass m, the naive perturbation theory breaks down. Consequently, we calculate the process of heavy quark production in both open and hidden channels in the framework of the parton saturation model (color glass condensate). We demonstrate that at RHIC such a description is in agreement with experimental data on charm production.
Dislocation-Indenter Interaction In Nanoindentation, M. Ravi Shankar, Alexander H. King, Srinivasan Chandrasekar
Dislocation-Indenter Interaction In Nanoindentation, M. Ravi Shankar, Alexander H. King, Srinivasan Chandrasekar
Alexander H. King
A formulation of dislocation-indenter interaction in two-dimensional, isotropic elasticity is presented. A significant dislocation-indenter interaction is predicted when dislocations are nucleated very close to the indenter. This interaction is expected to have an important influence on dislocation motion and multiplication. Upon nucleation close to the indenter, the dislocations are shown to modify the load, load distribution, and moment acting on the indenter. This effect is seen to vary with the indentation contact length. Further away from the indenter, the indenter-dislocation interaction is shown to be negligible.
Chaos In The Color Glass Condensate, Dmitri Kharzeev, Kirill Tuchin
Chaos In The Color Glass Condensate, Dmitri Kharzeev, Kirill Tuchin
Kirill Tuchin
The number of gluons in the hadron wave function is discrete, and their formation in the chain of small x evolution occurs over discrete rapidity intervals of Δy≃1/αs. We therefore consider the evolution as a discrete quantum process. We show that the discrete version of the mean-field Kovchegov evolution equation gives rise to strong fluctuations in the scattering amplitude, not present in the continuous equation. We find that if the linear evolution is as fast as predicted by the perturbative BFKL dynamics, the scattering amplitude at high energies exhibits a chaotic behavior. As a consequence, the properties of diffraction at …