Quantum Monte Carlo simulations of a particle in a random potential

In this paper we carry out Quantum Monte Carlo simulations of a quantum particle in a one-dimensional random potential (plus a fixed harmonic potential) at a finite temperature. This is the simplest model of an interface in a disordered medium and may also pertain to an electron in a dirty metal. We compare with previous analytical results, and also derive an expression for the sample to sample fluctuations of the mean square displacement from the origin which is a measure of the glassiness of the system. This quantity as well as the mean square displacement of the particle are measured in the simulation. The similarity to the quantum spin glass in a transverse field is noted. The effect of quantum fluctuations on the glassy behavior is discussed.Comment: 23 pages, 7 figures included as eps files, uses RevTeX. Accepted for publication in J. of Physics A: Mathematical and Genera

Discrete element modelling of fluidised bed spray granulation

A novel discrete element spray granulation model capturing the key features of fluidised bed hydrodynamics, liquid-solid contacting and agglomeration is presented. The model computes the motion of every individual particle and droplet in the system, considering the gas phase as a continuum. Micro scale processes such as particle-particle collisions, droplet-particle coalescence and agglomeration are directly taken into account by simple closure models. Simulations of the hydrodynamic behaviour of a batch granulation process are presented to demonstrate the potential of the model for creating\ud insight into the influence of several key process conditions such as fluidisation velocity, spray rate and spray pattern on powder product characteristics

Quantum fluctuations and glassy behavior: The case of a quantum particle in a random potential

In this paper we expand our previous investigation of a quantum particle subject to the action of a random potential plus a fixed harmonic potential at a finite temperature T. In the classical limit the system reduces to a well-known ``toy'' model for an interface in a random medium. It also applies to a single quantum particle like an an electron subject to random interactions, where the harmonic potential can be tuned to mimic the effect of a finite box. Using the variational approximation, or alternatively, the limit of large spatial dimensions, together with the use the replica method, and are able to solve the model and obtain its phase diagram in the $T - (\hbar^2/m)$ plane, where $m$ is the particle's mass. The phase diagram is similar to that of a quantum spin-glass in a transverse field, where the variable $\hbar^2/m$ plays the role of the transverse field. The glassy phase is characterized by replica-symmetry-breaking. The quantum transition at zero temperature is also discussed.Comment: revised version, 23 pages, revtex, 5 postscript figures in a separate file figures.u

Dynamical solutions of a quantum Heisenberg spin glass model

We consider quantum-dynamical phenomena in the $\mathrm{SU}(2)$, $S=1/2$ infinite-range quantum Heisenberg spin glass. For a fermionic generalization of the model we formulate generic dynamical self-consistency equations. Using the Popov-Fedotov trick to eliminate contributions of the non-magnetic fermionic states we study in particular the isotropic model variant on the spin space. Two complementary approximation schemes are applied: one restricts the quantum spin dynamics to a manageable number of Matsubara frequencies while the other employs an expansion in terms of the dynamical local spin susceptibility. We accurately determine the critical temperature $T_c$ of the spin glass to paramagnet transition. We find that the dynamical correlations cause an increase of $T_c$ by 2% compared to the result obtained in the spin-static approximation. The specific heat $C(T)$ exhibits a pronounced cusp at $T_c$. Contradictory to other reports we do not observe a maximum in the $C(T)$-curve above $T_c$.Comment: 8 pages, 7 figure

Replica field theory for a polymer in random media

In this paper we revisit the problem of a (non self-avoiding) polymer chain in a random medium which was previously investigated by Edwards and Muthukumar (EM). As noticed by Cates and Ball (CB) there is a discrepancy between the predictions of the replica calculation of EM and the expectation that in an infinite medium the quenched and annealed results should coincide (for a chain that is free to move) and a long polymer should always collapse. CB argued that only in a finite volume one might see a ``localization transition'' (or crossover) from a stretched to a collapsed chain in three spatial dimensions. Here we carry out the replica calculation in the presence of an additional confining harmonic potential that mimics the effect of a finite volume. Using a variational scheme with five variational parameters we derive analytically for d<4 the result R~(g |ln \mu|)^{-1/(4-d)} ~(g lnV)^{-1/(4-d)}, where R is the radius of gyration, g is the strength of the disorder, \mu is the spring constant associated with the confining potential and V is the associated effective volume of the system. Thus the EM result is recovered with their constant replaced by ln(V) as argued by CB. We see that in the strict infinite volume limit the polymer always collapses, but for finite volume a transition from a stretched to a collapsed form might be observed as a function of the strength of the disorder. For d<2 and for large V>V'~exp[g^(2/(2-d))L^((4-d)/(2-d))] the annealed results are recovered and R~(Lg)^(1/(d-2)), where L is the length of the polymer. Hence the polymer also collapses in the large L limit. The 1-step replica symmetry breaking solution is crucial for obtaining the above results.Comment: Revtex, 32 page

Disorder effects in the quantum Heisenberg model: An Extended Dynamical mean-field theory analysis

We investigate a quantum Heisenberg model with both antiferromagnetic and disordered nearest-neighbor couplings. We use an extended dynamical mean-field approach, which reduces the lattice problem to a self-consistent local impurity problem that we solve by using a quantum Monte Carlo algorithm. We consider both two- and three-dimensional antiferromagnetic spin fluctuations and systematically analyze the effect of disorder. We find that in three dimensions for any small amount of disorder a spin-glass phase is realized. In two dimensions, while clean systems display the properties of a highly correlated spin-liquid (where the local spin susceptibility has a non-integer power-low frequency and/or temperature dependence), in the present case this behavior is more elusive unless disorder is very small. This is because the spin-glass transition temperature leaves only an intermediate temperature regime where the system can display the spin-liquid behavior, which turns out to be more apparent in the static than in the dynamical susceptibility.Comment: 15 pages, 7 figure

Calculation of Effective Coulomb Interaction for Pr3+Pr^{3+}, U4+U^{4+}, and UPt3UPt_3

In this paper, the Slater integrals for a screened Coulomb interaction of the the Yukawa form are calculated and by fitting the Thomas-Fermi wavevector, good agreement is obtained with experiment for the multiplet spectra of $Pr^{3+}$ and $U^{4+}$ ions. Moreover, a predicted multiplet spectrum for the heavy fermion superconductor $UPt_3$ is shown with a calculated Coulomb U of 1.6 eV. These effective Coulomb interactions, which are quite simple to calculate, should be useful inputs to further many-body calculations in correlated electron metals.Comment: 8 pages, revtex, 3 uuencoded postscript figure

Quantitative Analysis of the Publishing Landscape in High-Energy Physics

World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to identify precisely the ``share'' of each country in HEP scientific production. One year's worth of HEP scientific articles published in peer-reviewed journals is analysed and their authors are uniquely assigned to countries. This method allows the first correct estimation on a ``pro rata'' basis of the share of HEP scientific publishing among several countries and institutions. The results provide an interesting insight into the geographical collaborative patterns of the HEP community. The HEP publishing landscape is further analysed to provide information on the journals favoured by the HEP community and on the geographical variation of their author bases. These results provide quantitative input to the ongoing debate on the possible transition of HEP publishing to an Open Access model.Comment: For a better on-screen viewing experience this paper can also be obtained at: http://doc.cern.ch/archive/electronic/cern/preprints/open/open-2006-065.pd

Localization of a polymer in random media: Relation to the localization of a quantum particle

In this paper we consider in detail the connection between the problem of a polymer in a random medium and that of a quantum particle in a random potential. We are interested in a system of finite volume where the polymer is known to be {\it localized} inside a low minimum of the potential. We show how the end-to-end distance of a polymer which is free to move can be obtained from the density of states of the quantum particle using extreme value statistics. We give a physical interpretation to the recently discovered one-step replica-symmetry-breaking solution for the polymer (Phys. Rev. E{\bf 61}, 1729 (2000)) in terms of the statistics of localized tail states. Numerical solutions of the variational equations for chains of different length are performed and compared with quenched averages computed directly by using the eigenfunctions and eigenenergies of the Schr\"odinger equation for a particle in a one-dimensional random potential. The quantities investigated are the radius of gyration of a free gaussian chain, its mean square distance from the origin and the end-to-end distance of a tethered chain. The probability distribution for the position of the chain is also investigated. The glassiness of the system is explained and is estimated from the variance of the measured quantities.Comment: RevTex, 44 pages, 13 figure

Magic wavelengths for the 5s−18s5s-18s transition in rubidium

Magic wavelengths, for which there is no differential ac Stark shift for the ground and excited state of the atom, allow trapping of excited Rydberg atoms without broadening the optical transition. This is an important tool for implementing quantum gates and other quantum information protocols with Rydberg atoms, and reliable theoretical methods to find such magic wavelengths are thus extremely useful. We use a high-precision all-order method to calculate magic wavelengths for the $5s-18s$ transition of rubidium, and compare the calculation to experiment by measuring the light shift for atoms held in an optical dipole trap at a range of wavelengths near a calculated magic value