Anomalous tunneling of bound pairs in crystal lattices

A novel method of solving scattering problems for bound pairs on a lattice is developed. Two different break ups of the hamiltonian are employed to calculate the full Green operator and the wave function of the scattered pair. The calculation converges exponentially in the number of basis states used to represent the non-translation invariant part of the Green operator. The method is general and applicable to a variety of scattering and tunneling problems. As the first application, the problem of pair tunneling through a weak link on a one-dimensional lattice is solved. It is found that at momenta close to \pi the pair tunnels much easier than one particle, with the transmission coefficient approaching unity. This anomalously high transmission is a consequence of the existence of a two-body resonant state localized at the weak link.Comment: REVTeX, 5 pages, 4 eps figure

TensorFlow Doing HPC

TensorFlow is a popular emerging open-source programming framework supporting the execution of distributed applications on heterogeneous hardware. While TensorFlow has been initially designed for developing Machine Learning (ML) applications, in fact TensorFlow aims at supporting the development of a much broader range of application kinds that are outside the ML domain and can possibly include HPC applications. However, very few experiments have been conducted to evaluate TensorFlow performance when running HPC workloads on supercomputers. This work addresses this lack by designing four traditional HPC benchmark applications: STREAM, matrix-matrix multiply, Conjugate Gradient (CG) solver and Fast Fourier Transform (FFT). We analyze their performance on two supercomputers with accelerators and evaluate the potential of TensorFlow for developing HPC applications. Our tests show that TensorFlow can fully take advantage of high performance networks and accelerators on supercomputers. Running our TensorFlow STREAM benchmark, we obtain over 50% of theoretical communication bandwidth on our testing platform. We find an approximately 2x, 1.7x and 1.8x performance improvement when increasing the number of GPUs from two to four in the matrix-matrix multiply, CG and FFT applications respectively. All our performance results demonstrate that TensorFlow has high potential of emerging also as HPC programming framework for heterogeneous supercomputers.Comment: Accepted for publication at The Ninth International Workshop on Accelerators and Hybrid Exascale Systems (AsHES'19

Shear band dynamics from a mesoscopic modeling of plasticity

The ubiquitous appearance of regions of localized deformation (shear bands) in different kinds of disordered materials under shear is studied in the context of a mesoscopic model of plasticity. The model may or may not include relaxational (aging) effects. In the absence of relaxational effects the model displays a monotonously increasing dependence of stress on strain-rate, and stationary shear bands do not occur. However, in start up experiments transient (although long lived) shear bands occur, that widen without bound in time. I investigate this transient effect in detail, reproducing and explaining a t^1/2 law for the thickness increase of the shear band that has been obtained in atomistic numerical simulations. Relaxation produces a negative sloped region in the stress vs. strain-rate curve that stabilizes the formation of shear bands of a well defined width, which is a function of strain-rate. Simulations at very low strain-rates reveal a non-trivial stick-slip dynamics of very thin shear bands that has relevance in the study of seismic phenomena. In addition, other non-stationary processes, such as stop-and-go, or strain-rate inversion situations display a phenomenology that matches very well the results of recent experimental studies.Comment: 10 pages, 10 figure

Generalized stacking fault energy surfaces and dislocation properties of aluminum

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles Density Functional Theory (DFT) with pseudopotentials and the embedded atom method (EAM). Various core properties, including the core width, splitting behavior, energetics and Peierls stress for different dislocations have been investigated. The correlation between the core energetics and dislocation character has been explored. Our results reveal a simple relationship between the Peierls stress and the ratio between the core width and atomic spacing. The dependence of the core properties on the two methods for calculating the total energy (DFT vs. EAM) has been examined. The EAM can give gross trends for various dislocation properties but fails to predict the finer core structures, which in turn can affect the Peierls stress significantly (about one order of magnitude).Comment: 25 pages, 12 figure

Strain localization in a shear transformation zone model for amorphous solids

We model a sheared disordered solid using the theory of Shear Transformation Zones (STZs). In this mean-field continuum model the density of zones is governed by an effective temperature that approaches a steady state value as energy is dissipated. We compare the STZ model to simulations by Shi, et al.(Phys. Rev. Lett. 98 185505 2007), finding that the model generates solutions that fit the data,exhibit strain localization, and capture important features of the localization process. We show that perturbations to the effective temperature grow due to an instability in the transient dynamics, but unstable systems do not always develop shear bands. Nonlinear energy dissipation processes interact with perturbation growth to determine whether a material exhibits strain localization. By estimating the effects of these interactions, we derive a criterion that determines which materials exhibit shear bands based on the initial conditions alone. We also show that the shear band width is not set by an inherent diffusion length scale but instead by a dynamical scale that depends on the imposed strain rate.Comment: 8 figures, references added, typos correcte

Hydrogen-enhanced local plasticity in aluminum: an ab initio study

Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip but also enhances dislocation mobility dramatically, leading to macroscopically softening and thinning of the material ahead of the crack tip. We observe strong binding between H and dislocation cores, with the binding energy depending on dislocation character. This dependence can directly affect the mechanical properties of Al by inhibiting dislocation cross-slip and developing slip planarity.Comment: 4 pages, 3 figure

Bose-Einstein Condensation of Excitons: Reply to Tikhodeev's Criticism

The extended version of our reply to Comment on ``Critical Velocities in Exciton Superfluidity'' by S. G. Tikhodeev (Phys. Rev. Lett., 84 (2000), 3502 or from http://prl.aps.org/) is presented here. The principal question is discussed: does the moving exciton-phonon packet contain the coherent `nucleus', or the exciton-phonon condensate?Comment: 3 pages in LaTe

On Critical Velocities in Exciton Superfluidity

The presence of exciton phonon interactions is shown to play a key role in the exciton superfluidity. We apply the Landau criterion for an exciton-phonon condensate moving uniformly at zero temperature. It turns out that there are essentially two critical velocities in the theory. Within the range of these velocities the condensate can exist only as a bright soliton. The excitation spectrum and differential equations for the wave function of this condensate are derived.Comment: 7 pages, Latex; to be published in Phys.Rev.Lett (1997

Screw dislocation in zirconium: An ab initio study

Plasticity in zirconium is controlled by 1/3 screw dislocations gliding in the prism planes of the hexagonal close-packed structure. This prismatic and not basal glide is observed for a given set of transition metals like zirconium and is known to be related to the number of valence electrons in the d band. We use ab initio calculations based on the density functional theory to study the core structure of screw dislocations in zirconium. Dislocations are found to dissociate in the prism plane in two partial dislocations, each with a pure screw character. Ab initio calculations also show that the dissociation in the basal plane is unstable. We calculate then the Peierls barrier for a screw dislocation gliding in the prism plane and obtain a small barrier. The Peierls stress deduced from this barrier is lower than 21 MPa, which is in agreement with experimental data. The ability of an empirical potential relying on the embedded atom method (EAM) to model dislocations in zirconium is also tested against these ab initio calculations