Biomedical subjects

M Boninsegni

Publications and source records attributed to M Boninsegni.

15 recordsLinked to original sources

PubMed2006

Worm algorithm and diagrammatic Monte Carlo: a new approach to continuous-space path integral Monte Carlo simulations.

A detailed description is provided of a new worm algorithm, enabling the accurate computation of thermodynamic properties of quantum many-body systems in continuous space, at finite temperature. The algorithm is formulated within the general path integral Monte Carlo (PIMC) scheme, but also allows one to perform quantum simulations in the grand canonical ensemble, as well as to compute off-diagonal imaginary-time correlation functions, such as the Matsubara Green function, simultaneously with diagonal observables. Another important innovation consists of the expansion of the attractive part of the pairwise potential energy into elementary (diagrammatic) contributions, which are then statistically sampled. This affords a complete microscopic account of the long-range part of the potential energy, while keeping the computational complexity of all updates independent of the size of the simulated system. The computational scheme allows for efficient calculations of the superfluid fraction and off-diagonal correlations in space-time, for system sizes which are orders of magnitude larger than those accessible to conventional PIMC. We present illustrative results for the superfluid transition in bulk liquid 4He in two and three dimensions, as well as the calculation of the chemical potential of hcp 4He.

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PubMed2006

Fate of vacancy-induced supersolidity in 4He.

The supersolid state of matter, exhibiting nondissipative flow in solids, has been elusive for 35 years. The recent discovery of a nonclassical moment of inertia in solid 4He by Kim and Chan provided the first experimental evidence, although the interpretation in terms of supersolidity of the ideal crystal phase remains a subject to debate. Using quantum Monte Carlo methods we investigate the long-standing question of vacancy-induced superflow and find that vacancies in a 4He crystal phase separate instead of forming a supersolid. On the other hand, nonequilibrium vacancies relaxing on defects of polycrystalline samples could provide an explanation for the experimental observations.

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PubMed2001

Phase separation in mixtures of hard core bosons.

A theoretical investigation of boson versions of the t-J and t-J(z) models on the square lattice is carried out. In the t-J(z) model, phase separation between a hole-rich and a hole-free phase occurs, at sufficiently low hole doping, for arbitrarily small values of J(z). The boson t-J model, instead, features a uniform ground state at any doping for J/t< or =1.5. No evidence of a striped ground state is found. Relevance of this study to the corresponding fermion models is discussed. Fermi statistics is found to enhance the tendency toward phase separation; in particular, phase separation is predicted, at low doping, in the fermion t-J(z) model, at all values of J(z).

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PubMed2001

Helium in one-dimensional nanopores: free dispersion, localization, and commensurate/incommensurate transitions with nonrigid orbitals.

The single-particle states of helium within a bundle of carbon nanotubes can range from nearly free-particle dispersion to localization, even within a single bundle. At intermediate effective masses, the corrugation in the external potential can be comparable to the intrasite He-He hard-core interaction. This results in a commensurate/incommensurate transition, where the mobility of the doubly occupied domain-wall solitons at high density greatly exceeds the corresponding hole mobility below the transition.

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PubMed2000

Condensation of helium in nanotube bundles

Helium atoms are strongly attracted to the interstitial channels within a bundle of carbon nanotubes. The strong corrugation of the axial potential within a channel can produce a lattice gas system wherein the weak mutual attraction between atoms in neighboring channels induces a transition to an anisotropic condensed phase. At low temperatures, the specific heat of the adsorbate phase (with fewer than 2% of the atoms) greatly exceeds that of the host.

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PubMed2000

Equation of state of solid 3He

We present results of diffusion Monte Carlo calculations for the bcc and hcp phases of solid 3He, using a recent ab initio interatomic potential, including two- and three-body terms. This potential is found to yield an equation of state for condensed 4He in excellent agreement with experiment, in a wide density range. For 3He, we find a systematic discrepancy, worth 0.7 K, between our computed equation of state and a commonly accepted experimental one. We attribute such a discrepancy to an improper choice of reference energy in the determination of the experimental equation of state.

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PubMed1995