Quasi-one-dimensional parahydrogen in nanopores

Omiyinka, Tokunbo

doi:10.1103/physrevb.93.104501

Cited by 20 publications

(27 citation statements)

References 36 publications

(28 reference statements)

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“…The second model to study the effects of departing from a strictly 1D geometry is a harmonic potential U (r) = 2 /(2mr 4 0 ) (x 2 + y 2 ), with r 0 a parameter which controls the strength of the confinement. A similar harmonic model was used recently in a PIMC simulation [29].…”

Section: Methodsmentioning

confidence: 99%

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Luttinger parameter of quasi-one-dimensional para−H2

2017

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We have studied the ground-state properties of para-hydrogen in one dimension and in quasione-dimensional configurations using the path integral ground state Monte Carlo method. This method produces zero-temperature exact results for a given interaction and geometry. The quasione-dimensional setup has been implemented in two forms: the inner channel inside a carbon nanotube coated with H2 and a harmonic confinement of variable strength. Our main result is the dependence of the Luttinger parameter on the density within the stable regime. Going from one dimension to quasi-one dimension, keeping the linear density constant, produces a systematic increase of the Luttinger parameter. This increase is however not enough to reach the superfluid regime and the system always remain in the quasi-crystal regime, according to Luttinger liquid theory.

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Section: Methodsmentioning

confidence: 99%

“…Recently, there has been interest in the study of p-H 2 in quasi-one-dimensional environments [27][28][29]. Again, the idea is to reduce dimensionality to soften the intermolecular attraction.…”

Section: Introductionmentioning

confidence: 99%

Luttinger parameter of quasi-one-dimensional para−H2

2017

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“…Eventually, if the nanopore interior is further enlarged, nucleation of a narrow channel containing a liquid may occur . In the case of molecular hydrogen, however, the possible stabilisation of a 1D fluid remains controversial (Gordillo, Boronat, and Casulleras, 2000b;Boninsegni, 2013b;Omiyinka and Boninsegni, 2016;Rossi and Ancilotto, 2016).…”

Section: B One-dimensional Systemsmentioning

confidence: 99%

Simulation and understanding of atomic and molecular quantum crystals

2017

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Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases ( 4 He and Ne), molecular solids (H 2 and CH 4 ), and some ionic (LiH), covalent (graphite), and metallic (Li) crystals can be only explained in terms of quantum nuclear effects (QNE). A detailed comprehension of the nature of quantum solids is critical for achieving progress in a number of fundamental and applied scientific fields like, for instance, planetary sciences, hydrogen storage, nuclear energy, quantum computing, and nanoelectronics. This review describes the current physical understanding of quantum crystals formed by atoms and small molecules, as well as the wide palette of simulation techniques that are used to investigate them. Relevant aspects in these materials such as phase transformations, structural properties, elasticity, crystalline defects and the effects of reduced dimensionality, are discussed thoroughly. An introduction to quantum Monte Carlo techniques, which in the present context are the simulation methods of choice, and other quantum simulation approaches (e. g., path-integral molecular dynamics and quantum thermal baths) is provided. The overarching objective of this article is twofold. First, to clarify in which crystals and physical situations the disregard of QNE may incur in important bias and erroneous interpretations. And second, to promote the study and appreciation of QNE, a topic that traditionally has been treated in the context of condensed matter physics, within the broad and interdisciplinary areas of materials science.

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“…This has motivated theoretical studies of hard core fluids such as 4 He [31,32] and parahydrogen (p-H2) [33] in strictly 1D, as well as inside a single nanotube [34][35][36], or in the interstitial channel of a bundle of nanotubes [37].…”

Section: Introductionmentioning

confidence: 99%

Dipolar bosons in one dimension: The case of longitudinal dipole alignment

Kora

2020

Phys. Rev. A

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We study by quantum Monte Carlo simulations the low-temperature phase diagram of dipolar bosons confined to one dimension, with dipole moments aligned along the direction of particle motion. A hard core repulsive potential of varying range (σ) is added to the dipolar interactio n, in order to ensure stability of the system against collapse. In the σ → 0 limit the physics of the system is dominated by the potential energy and the ground state is quasi-crystalline; as σ is increased the attractive part of the interaction weakens and the equilibrium phase evolves from quasi-crystalline to a non-superfluid liquid. At a critical value σc, the kinetic energy becomes dominant and the system undergoes a quantum phase transition from a self-bound liquid to a gas. In the gaseous phase with σ → σc, at low density attractive interactions bring the system into a "weak" superfluid regime. However, gas-liquid coexistence also occurs, as a result of which the topologically protected superfluid regime is not approached. arXiv:1911.05216v2 [cond-mat.stat-mech]

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Quasi-one-dimensional parahydrogen in nanopores

Cited by 20 publications

References 36 publications

Luttinger parameter of quasi-one-dimensional para−H2

Luttinger parameter of quasi-one-dimensional para−H2

Simulation and understanding of atomic and molecular quantum crystals

Dipolar bosons in one dimension: The case of longitudinal dipole alignment

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