Digital Alchemy for Materials Design: Colloids and Beyond

Starting with the early alchemists, a holy grail of science has been to make desired materials by modifying the attributes of basic building blocks. Building blocks that show promise for assembling new complex materials can be synthesized at the nanoscale with attributes that would astonish the ancient alchemists in their versatility. However, this versatility means that making direct connection between building block attributes and bulk behavior is both necessary for rationally engineering materials, and difficult because building block attributes can be altered in many ways. Here we show how to exploit the malleability of the valence of colloidal nanoparticle "elements" to directly and quantitatively link building block attributes to bulk behavior through a statistical thermodynamic framework we term "digital alchemy". We use this framework to optimize building blocks for a given target structure, and to determine which building block attributes are most important to control for self assembly, through a set of novel thermodynamic response functions, moduli and susceptibilities. We thereby establish direct links between the attributes of colloidal building blocks and the bulk structures they form. Moreover, our results give concrete solutions to the more general conceptual challenge of optimizing emergent behaviors in nature, and can be applied to other types of matter. As examples, we apply digital alchemy to systems of truncated tetrahedra, rhombic dodecahedra, and isotropically interacting spheres that self assemble diamond, FCC, and icosahedral quasicrystal structures, respectively.Comment: 17 REVTeX pages, title fixed to match journal versio

Distributed Quantum Computation Based-on Small Quantum Registers

We describe and analyze an efficient register-based hybrid quantum computation scheme. Our scheme is based on probabilistic, heralded optical connection among local five-qubit quantum registers. We assume high fidelity local unitary operations within each register, but the error probability for initialization, measurement, and entanglement generation can be very high (~5%). We demonstrate that with a reasonable time overhead our scheme can achieve deterministic non-local coupling gates between arbitrary two registers with very high fidelity, limited only by the imperfections from the local unitary operation. We estimate the clock cycle and the effective error probability for implementation of quantum registers with ion-traps or nitrogen-vacancy (NV) centers. Our new scheme capitalizes on a new efficient two-level pumping scheme that in principle can create Bell pairs with arbitrarily high fidelity. We introduce a Markov chain model to study the stochastic process of entanglement pumping and map it to a deterministic process. Finally we discuss requirements for achieving fault-tolerant operation with our register-based hybrid scheme, and also present an alternative approach to fault-tolerant preparation of GHZ states.Comment: 22 Pages, 23 Figures and 1 Table (updated references

Weak continuous monitoring of a flux qubit using coplanar waveguide resonator

We study a flux qubit in a coplanar waveguide resonator by measuring transmission through the system. In our system with the flux qubit decoupled galvanically from the resonator, the intermediate coupling regime is achieved. In this regime dispersive readout is possible with weak backaction on the qubit. The detailed theoretical analysis and simulations give a good agreement with the experimental data and allow to make the qubit characterization.Comment: 4 pages, 3 figures, to be published in Phys. Rev.

Measurement Based Quantum Computation on Fractal Lattices

In this article we extend on work which establishes an analology between one-way quantum computation and thermodynamics to see how the former can be performed on fractal lattices. We find fractals lattices of arbitrary dimension greater than one which do all act as good resources for one-way quantum computation, and sets of fractal lattices with dimension greater than one all of which do not. The difference is put down to other topological factors such as ramification and connectivity. This work adds confidence to the analogy and highlights new features to what we require for universal resources for one-way quantum computation

First Results from Lattice Simulation of the PWMM

We present results of lattice simulations of the Plane Wave Matrix Model (PWMM). The PWMM is a theory of supersymmetric quantum mechanics that has a well-defined canonical ensemble. We simulate this theory by applying rational hybrid Monte Carlo techniques to a naive lattice action. We examine the strong coupling behaviour of the model focussing on the deconfinement transition.Comment: v3 20 pages, 8 figures, comment adde

XMM-Newton X-ray Observations of the Wolf-Rayet Binary System WR 147

We present results of a 20 ksec X-ray observation of the Wolf-Rayet (WR) binary system WR 147 obtained with XMM-Newton. Previous studies have shown that this system consists of a nitrogen-type WN8 star plus an OB companion whose winds are interacting to produce a colliding wind shock. X-ray spectra from the pn and MOS detectors confirm the high extinction reported from IR studies and reveal hot plasma including the first detection of the Fe K-alpha line complex at 6.67 keV. Spectral fits with a constant-temperature plane-parallel shock model give a shock temperature kT(shock) = 2.7 keV [T(shock) ~ 31 MK], close to but slightly hotter than the maximum temperature predicted for a colliding wind shock. Optically thin plasma models suggest even higher temperatures, which are not yet ruled out. The X-ray spectra are harder than can be accounted for using 2D numerical colliding wind shock models based on nominal mass-loss parameters. Possible explanations include: (i) underestimates of the terminal wind speeds or wind abundances, (ii) overly simplistic colliding wind models, or (iii) the presence of other X-ray emission mechanisms besides colliding wind shocks. Further improvement of the numerical models to include potentially important physics such as non-equilibrium ionization will be needed to rigorously test the colliding wind interpretation.Comment: 8 pages, 7 figure

Supercooling of the disordered vortex lattice in Bi_2Sr_2CaCu_2O_8+d

Time-resolved local induction measurements near to the vortex lattice order-disorder transition in optimally doped Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$ single crystals shows that the high-field, disordered phase can be quenched to fields as low as half the transition field. Over an important range of fields, the electrodynamical behavior of the vortex system is governed by the co-existence of the two phases in the sample. We interpret the results in terms of supercooling of the high-field phase and the possible first order nature of the order-disorder transition at the ``second peak''.Comment: 4 pages, 3 figures. Submitted to Nature, July 10th, 1999; Rejected August 8th for lack of broad interest Submitted to Physical Review Letters September 10th, 199

The Soft X-ray Spectrum from NGC 1068 Observed with LETGS on Chandra

Using the combined spectral and spatial resolving power of the Low Energy Transmission Grating (LETGS) on board Chandra, we obtain separate spectra from the bright central source of NGC 1068 (Primary region), and from a fainter bright spot 4" to the NE (Secondary region). Both spectra are dominated by line emission from H- and He-like ions of C through S, and from Fe L-shell ions, but also include narrow radiative recombination continua, indicating that most of the soft X-ray emission arises in low-temperature (kT few eV) photoionized plasma. We confirm the conclusions of Kinkhabwala et al. (2002), based on XMM-Newton RGS observations, that the entire nuclear spectrum can be explained by recombination/radiative cascade following photoionization, and radiative decay following photoexcitation, with no evidence for hot, collisionally ionized plasma. In addition, this model also provides an excellent fit to the spectrum of the Secondary region, albeit with radial column densities a factor of three lower, as would be expected given its distance from the source of the ionizing continuum. The remarkable overlap and kinematical agreement of the optical and X-ray line emission, coupled with the need for a distribution of ionization parameter to explain the X-ray spectra, collectively imply the presence of a distribution of densities (over a few orders of magnitude) at each radius in the ionization cone. Relative abundances of all elements are consistent with Solar abundance, except for N, which is 2-3 times Solar. The long wavelength spectrum beyond 30 A is rich of L-shell transitions of Mg, Si, S, and Ar, and M-shell transitions of Fe. The velocity dispersion decreases with increasing ionization parameter, as deduced from these long wavelength lines and the Fe-L shell lines.Comment: 12 pages, 11 figures, accepted for publication in Astronomy and Astrophysic

The Chemical Evolution of the Milky Way

The field of chemical evolution modeling of the Galaxy is experiencing in the last years a phase of high activity and important achievements. There are, however, several open questions which still need to be answered. In this review I summarize what have been the most important achievements and what are some of the most urgent questions to be answered.Comment: 10 pages including 3 figs, to appear in "The Chemical Evolution of the Milky Way. Stars vs Clusters", Proceedings of the Sept.1999 Vulcano Workshop, F.Giovannelli and F.Matteucci eds (Kluwer, Dordrecht) in pres

Incommensuration Effects and Dynamics in Vortex Chains

We examine the motion of one-dimensional (1D) vortex matter embedded in a 2D vortex system with weak pinning using numerical simulations. We confirm the conjecture of Matsuda et al. [Science 294, 2136 (2001)] that the onset of the temperature induced motion of the chain is due to an incommensuration effect of the chain with the periodic potential created by the bulk vortices. In addition, under an applied driving force we find a two stage depinning transition, where the initial depinning of the vortex chain occurs through soliton like pulses. When an ac drive is added to the dc drive, we observe phase locking of the moving vortex chain.Comment: 4 pages, 4 postscript figure