Exploring local quantum many-body relaxation by atoms in optical superlattices

We establish a setting - atoms in optical superlattices with period 2 - in which one can experimentally probe signatures of the process of local relaxation and apparent thermalization in non-equilibrium dynamics without the need of addressing single sites. This opens up a way to explore the convergence of subsystems to maximum entropy states in quenched quantum many-body systems with present technology. Remarkably, the emergence of thermal states does not follow from a coupling to an environment, but is a result of the complex non-equilibrium dynamics in closed systems. We explore ways of measuring the relevant signatures of thermalization in this analogue quantum simulation of a relaxation process, exploiting the possibilities offered by optical superlattices.Comment: 4 pages, 3 figures, version to published in Physical Review Letter

Pharmacokinetics of Pamidronate in Patients With Bone Metastases

Background: Pamidronate is a secondgeneration bisphosphonate used in the treatment of tumor-induced hypercalcemia and in the management of bone metastases from breast cancer, myeloma, or prostate cancer. The pharmacokinetics of pamidronate is unknown in cancer patients. Purpose: To determine the influence of the rate of administration and of bone metabolism, we studied the pharmacokinetics of pamidronate at three different infusion rates in 37 patients with bone metastases. Methods: Three groups of 11-14 patients were given 60 mg pamidronate as an intravenous infusion over a period of 1, 4, or 24 hours. Urine samples were collected in the three groups of patients. Plasma samples were obtained only in the 1-hour infusion group. The assay of pamidronate in plasma and urine was performed by high-performance liquid chromatography with fluorescence detection after the derivatization of pamidronate with fluorescamine. Results: The body retention (BR) at 0-24 hours of pamidronate represented 60%-70% of the administered dose and was not significantly modified by the infusion rate. In particular, the BR at 0-24 hours was not reduced at the fastest infusion rate. Among patients, a threefold variability in BR at 0-24 hours occurred, which was related directly to the number of bone metastases and, to some extent, to creatinine clearance. At 60 mg/hour, the plasma kinetics followed a multiexponential course characterized by a short distribution phase. The mean (±SD) half-life of the distribution phase was 0.8 hour (±0.3), the mean (±SD) of the area under the curve for drug concentration in plasma × time at 0-24 hours was 22.0 × 8.8 μmol/L × hours, and the mean (±SD) of the maximum plasma concentration was 9.7 μmol/L (±3.2). Pharmacokinetic variables remained unchanged after repeated infusions applied to four patients. Clinically, the three infusion rates were equally well tolerated without significant toxicity. Conclusions: The 1-hour infusion rate could be proposed as kinetically appropriate for the administration of pamidronate to patients with metastatic bone diseases. [J Natl Cancer Inst 84: 788-792, 1992

Electronic Structure Calculations with LDA+DMFT

The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the method are (i) building material-specific Hubbard-like many-body models and (ii) solving them in the dynamical mean-field approximation. Step (i) requires the construction of a localized one-electron basis, typically a set of Wannier functions. It also involves a number of approximations, such as the choice of the degrees of freedom for which many-body effects are explicitly taken into account, the scheme to account for screening effects, or the form of the double-counting correction. Step (ii) requires the dynamical mean-field solution of multi-orbital generalized Hubbard models. Here central is the quantum-impurity solver, which is also the computationally most demanding part of the full LDA+DMFT approach. In this chapter I will introduce the core aspects of the LDA+DMFT method and present a prototypical application.Comment: 21 pages, 7 figures. Chapter of "Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View", eds. V. Bach and L. Delle Site, Springer 201

Particle number conservation in quantum many-body simulations with matrix product operators

Incorporating conservation laws explicitly into matrix product states (MPS) has proven to make numerical simulations of quantum many-body systems much less resources consuming. We will discuss here, to what extent this concept can be used in simulation where the dynamically evolving entities are matrix product operators (MPO). Quite counter-intuitively the expectation of gaining in speed by sacrificing information about all but a single symmetry sector is not in all cases fulfilled. It turns out that in this case often the entanglement imposed by the global constraint of fixed particle number is the limiting factor.Comment: minor changes, 18 pages, 5 figure

Rigorous mean-field dynamics of lattice bosons: Quenches from the Mott insulator

We provide a rigorous derivation of Gutzwiller mean-field dynamics for lattice bosons, showing that it is exact on fully connected lattices. We apply this formalism to quenches in the interaction parameter from the Mott insulator to the superfluid state. Although within mean-field the Mott insulator is a steady state, we show that a dynamical critical interaction $U_d$ exists, such that for final interaction parameter $U_f>U_d$ the Mott insulator is exponentially unstable towards emerging long-range superfluid order, whereas for $U_f<U_d$ the Mott insulating state is stable. We discuss the implications of this prediction for finite-dimensional systems.Comment: 6 pages, 3 figures, published versio

Nonadiabatic Dynamics of Ultracold Fermions in Optical Superlattices

We study the time-dependent dynamical properties of two-component ultracold fermions in a one-dimensional optical superlattice by applying the adaptive time-dependent density matrix renormalization group to a repulsive Hubbard model with an alternating superlattice potential. We clarify how the time evolution of local quantities occurs when the superlattice potential is suddenly changed to a normal one. For a Mott-type insulating state at quarter filling, the time evolution exhibits a profile similar to that expected for bosonic atoms, where correlation effects are less important. On the other hand, for a band-type insulating state at half filling, the strong repulsive interaction induces an unusual pairing of fermions, resulting in some striking properties in time evolution, such as a paired fermion co-tunneling process and the suppression of local spin moments. We further address the effect of a confining potential, which causes spatial confinement of the paired fermions.Comment: 4 pages, 5 figure

Data-based modeling of drug penetration relates human skin barrier function to the interplay of diffusivity and free-energy profiles

Based on experimental concentration depth profiles of the antiinflammatory drug dexamethasone in human skin, we model the time-dependent drug penetration by the 1D general diffusion equation that accounts for spatial variations in the diffusivity and free energy. For this, we numerically invert the diffusion equation and thereby obtain the diffusivity and the free-energy profiles of the drug as a function of skin depth without further model assumptions. As the only input, drug concentration profiles derived from X-ray microscopy at three consecutive times are used. For dexamethasone, skin barrier function is shown to rely on the combination of a substantially reduced drug diffusivity in the stratum corneum (the outermost epidermal layer), dominant at short times, and a pronounced free-energy barrier at the transition from the epidermis to the dermis underneath, which determines the drug distribution in the long-time limit. Our modeling approach, which is generally applicable to all kinds of barriers and diffusors, allows us to disentangle diffusivity from free-energetic effects. Thereby we can predict short-time drug penetration, where experimental measurements are not feasible, as well as long-time permeation, where ex vivo samples deteriorate, and thus span the entire timescales of biological barrier functioning

Probing local relaxation of cold atoms in optical superlattices

In the study of relaxation processes in coherent non-equilibrium dynamics of quenched quantum systems, ultracold atoms in optical superlattices with periodicity two provide a very fruitful test ground. In this work, we consider the dynamics of a particular, experimentally accessible initial state prepared in a superlattice structure evolving under a Bose-Hubbard Hamiltonian in the entire range of interaction strengths, further investigating the issues raised in Ref. [Phys. Rev. Lett. 101, 063001 (2008)]. We investigate the relaxation dynamics analytically in the non interacting and hard core bosonic limits, deriving explicit expressions for the dynamics of certain correlation functions, and numerically for finite interaction strengths using the time-dependent density-matrix renormalization (t-DMRG) approach. We can identify signatures of local relaxation that can be accessed experimentally with present technology. While the global system preserves the information about the initial condition, locally the system relaxes to the state having maximum entropy respecting the constraints of the initial condition. For finite interaction strengths and finite times, the relaxation dynamics contains signatures of the relaxation dynamics of both the non-interacting and hard core bosonic limits.Comment: 18 pages RevTex, 20 figures, final version (problem with figures resolved

Probing the relaxation towards equilibrium in an isolated strongly correlated 1D Bose gas

The problem of how complex quantum systems eventually come to rest lies at the heart of statistical mechanics. The maximum entropy principle put forward in 1957 by E. T. Jaynes suggests what quantum states one should expect in equilibrium but does not hint as to how closed quantum many-body systems dynamically equilibrate. A number of theoretical and numerical studies accumulate evidence that under specific conditions quantum many-body models can relax to a situation that locally or with respect to certain observables appears as if the entire system had relaxed to a maximum entropy state. In this work, we report the experimental observation of the non-equilibrium dynamics of a density wave of ultracold bosonic atoms in an optical lattice in the regime of strong correlations. Using an optical superlattice, we are able to prepare the system in a well-known initial state with high fidelity. We then follow the dynamical evolution of the system in terms of quasi-local densities, currents, and coherences. Numerical studies based on the time-dependent density-matrix renormalization group method are in an excellent quantitative agreement with the experimental data. For very long times, all three local observables show a fast relaxation to equilibrium values compatible with those expected for a global maximum entropy state. We find this relaxation of the quasi-local densities and currents to initially follow a power-law with an exponent being significantly larger than for free or hardcore bosons. For intermediate times the system fulfills the promise of being a dynamical quantum simulator, in that the controlled dynamics runs for longer times than present classical algorithms based on matrix product states can efficiently keep track of.Comment: 8 pages, 6 figure

Pharmacokinetics of pamidronate in patients with bone metastases

BACKGROUND: Pamidronate is a second-generation bisphosphonate used in the treatment of tumor-induced hypercalcemia and in the management of bone metastases from breast cancer, myeloma, or prostate cancer. The pharmacokinetics of pamidronate is unknown in cancer patients. PURPOSE: To determine the influence of the rate of administration and of bone metabolism, we studied the pharmacokinetics of pamidronate at three different infusion rates in 37 patients with bone metastases. METHODS: Three groups of 11-14 patients were given 60 mg pamidronate as an intravenous infusion over a period of 1, 4, or 24 hours. Urine samples were collected in the three groups of patients. Plasma samples were obtained only in the 1-hour infusion group. The assay of pamidronate in plasma and urine was performed by high-performance liquid chromatography with fluorescence detection after the derivatization of pamidronate with fluorescamine. RESULTS: The body retention (BR) at 0-24 hours of pamidronate represented 60%-70% of the administered dose and was not significantly modified by the infusion rate. In particular, the BR at 0-24 hours was not reduced at the fastest infusion rate. Among patients, a threefold variability in BR at 0-24 hours occurred, which was related directly to the number of bone metastases and, to some extent, to creatinine clearance. At 60 mg/hour, the plasma kinetics followed a multiexponential course characterized by a short distribution phase. The mean (+/- SD) half-life of the distribution phase was 0.8 hour (+/- 0.3), the mean (+/- SD) of the area under the curve for drug concentration in plasma x time at 0-24 hours was 22.0 +/- 8.8 mumol/L x hours, and the mean (+/- SD) of the maximum plasma concentration was 9.7 mumol/L (+/- 3.2). Pharmacokinetic variables remained unchanged after repeated infusions applied to four patients. Clinically, the three infusion rates were equally well tolerated without significant toxicity. CONCLUSIONS: The 1-hour infusion rate could be proposed as kinetically appropriate for the administration of pamidronate to patients with metastatic bone diseases