Inferring bulk self-assembly properties from simulations of small systems with multiple constituent species and small systems in the grand canonical ensemble

In this paper we generalize a methodology [T. E. Ouldridge, A. A. Louis, and J. P. K. Doye, J. Phys.: Condens. Matter {\bf 22}, 104102 (2010)] for dealing with the inference of bulk properties from small simulations of self-assembling systems of characteristic finite size. In particular, schemes for extrapolating the results of simulations of a single self-assembling object to the bulk limit are established in three cases: for assembly involving multiple particle species, for systems with one species localized in space and for simulations in the grand canonical ensemble. Furthermore, methodologies are introduced for evaluating the accuracy of these extrapolations. Example systems demonstrate that differences in cluster concentrations between simulations of a single self-assembling structure and bulk studies of the same model under identical conditions can be large, and that convergence on bulk results as system size is increased can be slow and non-trivial.Comment: Accepted by J. Chem. Phy

Limits of sympathetic cooling of fermions: The role of the heat capacity of the coolant

The sympathetic cooling of an initially degenerate Fermi gas by either an ideal Bose gas below $T_c$ or an ideal Boltzmann gas is investigated. It is shown that the efficiency of cooling by a Bose gas below $T_c$ is by no means reduced when its heat capacity becomes much less than that of the Fermi gas, where efficiency is measured by the decrease in the temperature of the Fermi gas per number of particles evaporated from the coolant. This contradicts the intuitive idea that an efficient coolant must have a large heat capacity. In contrast, for a Boltzmann gas a minimal value of the ratio of the heat capacities is indeed necessary to achieve T=0 and all of the particles must be evaporated.Comment: 5 pages, 3 figure

Crossover from one to three dimensions for a gas of hard-core bosons

We develop a variational theory of the crossover from the one-dimensional (1D) regime to the 3D regime for ultra-cold Bose gases in thin waveguides. Within the 1D regime we map out the parameter space for fermionization, which may span the full 1D regime for suitable transverse confinement.Comment: 4 pages, 2 figure

Structure and energetics of helium adsorption on nanosurfaces

The ground and excited state properties of small helium clusters, 4He_N, containing nanoscale (~3-10 Angstroms) planar aromatic molecules have been studied with quantum Monte Carlo methods. Ground state structures and energies are obtained from importance-sampled, rigid-body diffusion Monte Carlo. Excited state energies due to helium vibrational motion are evaluated using the projection operator, imaginary time spectral evolution technique. We examine the adsorption of N helium atoms (N less than or equal to 24) on a series of planar aromatic molecules (benzene, naphthalene, anthracene, tetracene, phthalocyanine). The first layer of helium atoms is well-localized on the molecule surface, and we find well-defined localized excitations due to in-plane vibrational motion of helium on the molecule surface. We discuss the implications of these confined excitations for the molecule spectroscopy.Comment: 6 pages, 2 figures, QFS 2003 Symposium, submitted to J. Low Temp. Phy

Magneto-controlled nonlinear optical materials

We exploit theoretically a magneto-controlled nonlinear optical material which contains ferromagnetic nanoparticles with a non-magnetic metallic nonlinear shell in a host fluid. Such an optical material can have anisotropic linear and nonlinear optical properties and a giant enhancement of nonlinearity, as well as an attractive figure of merit.Comment: 11 pages, 2 figures. To be published in Appl. Phys. Let

Structure and spectroscopy of doped helium clusters using quantum Monte Carlo techniques

We present a comparative study of the rotational characteristics of various molecule-doped 4He clusters using quantum Monte Carlo techniques. The theoretical conclusions obtained from both zero and finite temperature Monte Carlo studies confirm the presence of two different dynamical regimes that correlate with the magnitude of the rotational constant of the molecule, i.e., fast or slow rotors. For a slow rotor, the effective rotational constant for the molecule inside the helium droplet can be determined by a microscopic two-fluid model in which helium densities computed by path integral Monte Carlo are used as input, as well as by direct computation of excited energy levels. For a faster rotor, the conditions for application of the two-fluid model for dynamical analysis are usually not fulfilled and the direct determination of excitation energies is then mandatory. Quantitative studies for three molecules are summarized, showing in each case excellent agreement with experimental results

Nuclear condensation and the equation of state of nuclear matter

The isothermal compression of a dilute nucleonic gas invoking cluster degrees of freedom is studied in an equilibrium statistical model; this clusterized system is found to be more stable than the pure nucleonic system. The equation of state (EoS) of this matter shows features qualitatively very similar to the one obtained from pure nucleonic gas. In the isothermal compression process, there is a sudden enhancement of clusterization at a transition density rendering features analogous to the gas-liquid phase transition in normal dilute nucleonic matter. Different observables like the caloric curves, heat capacity, isospin distillation, etc. are studied in both the models. Possible changes in the observables due to recently indicated medium modifications in the symmetry energy are also investigated.Comment: 18 pages and 11 figures. Phys. Rev. C (in press

Noninteracting Fermions in infinite dimensions

Usually, we study the statistical behaviours of noninteracting Fermions in finite (mainly two and three) dimensions. For a fixed number of fermions, the average energy per fermion is calculated in two and in three dimensions and it becomes equal to 50 and 60 per cent of the fermi energy respectively. However, in the higher dimensions this percentage increases as the dimensionality increases and in infinite dimensions it becomes 100 per cent. This is an intersting result, at least pedagogically. Which implies all fermions are moving with Fermi momentum. This result is not yet discussed in standard text books of quantum statistics. In this paper, this fact is discussed and explained. I hope, this article will be helpful for graduate students to study the behaviours of free fermions in generalised dimensionality.Comment: To appear in European Journal of Physics (2010

Finite Temperature Phase Diagram in Rotating Bosonic Optical Lattice

Finite temperature phase boundary between superfluid phase and normal state is analytically derived by studying the stability of normal state in rotating bosonic optical lattice. We also prove that the oscillation behavior of critical hopping matrix directly follows the upper boundary of Hofstadter butterfly as the function of effective magnetic field.Comment: 10 pages, 2 figure