Molecular hydrogen isotopes adsorbed on krypton-preplated graphite: Quantum Monte Carlo simulations

Adsorption of ortho-deuterium and para-hydrogen films on a graphite substrate, pre-plated with a single atomic layer of krypton, is studied theoretically by means of quantum Monte Carlo simulations at low temperature. Our model explicitly includes substrate corrugation. Energetic and structural properties of these adsorbed films are computed for a range of hydrogen coverages. Thermodynamically stable adsorbed films are solid, with no clear evidence of any liquid-like phase. Quantum exchanges of ortho-deuterium and para-hydrogen are essentially absent in this system, down to zero temperature; consequently, this system displays no superfluidity in this limit. Our simulations provide evidence of a stable domain wall fluid at low temperature, consistently with recent experimental observations.Comment: 7 pages, 7 figure

Low temperature phase diagram of condensed para-Hydrogen in two dimensions

Extensive Path Integral Monte Carlo simulations of condensed para-Hydrogen in two dimensions at low temperature have been carried out. In the zero temperature limit, the system is a crystal at equilibrium, with a triangular lattice structure. No metastable liquid phase is observed, as the system remains a solid down to the spinodal density, and breaks down into solid clusters at lower densities. The equilibrium crystal is found to melt at a temperature close to 7 K

Melting of a p-H2 monolayer on a lithium substrate

Adsorption of para-hydrogen films on Alkali metals substrates at low temperature is studied theoretically by means of Path Integral Monte Carlo simulations. Realistic potentials are utilized to model the interaction between two para-hydrogen molecules, as well as between a para-hydrogenmolecule and the substrate, assumed smooth. Results show that adsorption of para-hydrogen on a Lithium substrate, the most attractive among the Alkali, occurs through completion of successive solid adlayers. Each layer has a two-dimensional density approximatley equal 0.070 inverse square Angstroms. A solid para-hydrogen monolayer displays a higher degree of confinement, in the direction perpendicular to the substrate, than a monolayer Helium film, and has a melting temperature of about 6.5 K. The other Alkali substrates are not attractive enough to be wetted by molecular hydrogen at low temperature. No evidence of a possible superfluid phase of para-hydrogen is seen in these systems.Comment: Scales on the y-axis in Figs. 4,5 and 7 are off by a factor 2 in published version; corrected her

Adsorption of para-Hydrogen on Krypton pre-plated graphite

Adsorption of para-Hydrogen on the surface of graphite pre-plated with a single layer of atomic krypton is studied thoretically by means of Path Integral Ground State Monte Carlo simulations. We compute energetics and density profiles of para-hydrogen, and determine the structure of the adsorbed film for various coverages. Results show that there are two thermodynamically stable monolayer phases of para-hydrogen, both solid. One is commensurate with the krypton layer, the other is incommensurate. No evidence is seen of a thermodynamically stable liquid phase, at zero temperature. These results are qualitatively similar to what is seen for for para-hydrogen on bare graphite. Quantum exchanges of hydrogen molecules are suppressed in this system.Comment: 12 pages, 6 figures, to appear in the proceedings of "Advances in Computational Many-Body Physics", Banff, Alberta (Canada), January 13-16 200

Relationship between Thermodynamic Driving Force and One-Way Fluxes in Reversible Chemical Reactions

Chemical reaction systems operating in nonequilibrium open-system states arise in a great number of contexts, including the study of living organisms, in which chemical reactions, in general, are far from equilibrium. Here we introduce a theorem that relates forward and re-verse fluxes and free energy for any chemical process operating in a steady state. This rela-tionship, which is a generalization of equilibrium conditions to the case of a chemical process occurring in a nonequilibrium steady state, provides a novel equivalent definition for chemical reaction free energy. In addition, it is shown that previously unrelated theories introduced by Ussing and Hodgkin and Huxley for transport of ions across membranes, Hill for catalytic cycle fluxes, and Crooks for entropy production in microscopically reversible systems, are united in a common framework based on this relationship.Comment: 11 page

Forces between electric charges in motion: Rutherford scattering, circular Keplerian orbits, action-at-a-distance and Newton's third law in relativistic classical electrodynamics

Standard formulae of classical electromagnetism for the forces between electric charges in motion derived from retarded potentials are compared with those obtained from a recently developed relativistic classical electrodynamic theory with an instantaneous inter-charge force. Problems discussed include small angle Rutherford scattering, Jackson's recent `torque paradox' and circular Keplerian orbits. Results consistent with special relativity are obtained only with an instantaneous interaction. The impossiblity of stable circular motion with retarded fields in either classical electromagnetism or Newtonian gravitation is demonstrated.Comment: 26 pages, 5 figures. QED and special relativity forbid retarded electromagnetic forces. See also physics/0501130. V2 has typos corrected, minor text modifications and updated references. V3 has further typos removed and added text and reference

Conditioning bounds for traveltime tomography in layered media

This paper revisits the problem of recovering a smooth, isotropic, layered wave speed profile from surface traveltime information. While it is classic knowledge that the diving (refracted) rays classically determine the wave speed in a weakly well-posed fashion via the Abel transform, we show in this paper that traveltimes of reflected rays do not contain enough information to recover the medium in a well-posed manner, regardless of the discretization. The counterpart of the Abel transform in the case of reflected rays is a Fredholm kernel of the first kind which is shown to have singular values that decay at least root-exponentially. Kinematically equivalent media are characterized in terms of a sequence of matching moments. This severe conditioning issue comes on top of the well-known rearrangement ambiguity due to low velocity zones. Numerical experiments in an ideal scenario show that a waveform-based model inversion code fits data accurately while converging to the wrong wave speed profile

The Genesis Solar Wind Concentrator Target: Mass Fractionation Characterised by Neon Isotopes

The concentrator on Genesis provided samples of increased fluences of solar wind ions for precise determination of the oxygen isotopic composition. The concentration process caused mass fractionation as a function of the radial target position. This fractionation was measured using Ne released by UV laser ablation and compared with modelled Ne data, obtained from ion-trajectory simulations. Measured data show that the concentrator performed as expected and indicate a radially symmetric concentration process. Measured concentration factors are up to ∼30 at the target centre. The total range of isotopic fractionation along the target radius is 3.8%/amu, with monotonically decreasing 20Ne/22Ne towards the centre, which differs from model predictions. We discuss potential reasons and propose future attempts to overcome these disagreement

Action at a distance as a full-value solution of Maxwell equations: basis and application of separated potential's method

The inadequacy of Li\'{e}nard-Wiechert potentials is demonstrated as one of the examples related to the inconsistency of the conventional classical electrodynamics. The insufficiency of the Faraday-Maxwell concept to describe the whole electromagnetic phenomena and the incompleteness of a set of solutions of Maxwell equations are discussed and mathematically proved. Reasons of the introduction of the so-called ``electrodynamics dualism concept" (simultaneous coexistence of instantaneous Newton long-range and Faraday-Maxwell short-range interactions) have been displayed. It is strictly shown that the new concept presents itself as the direct consequence of the complete set of Maxwell equations and makes it possible to consider classical electrodynamics as a self-consistent and complete theory, devoid of inward contradictions. In the framework of the new approach, all main concepts of classical electrodynamics are reconsidered. In particular, a limited class of motion is revealed when accelerated charges do not radiate electromagnetic field.Comment: ReVTeX file, 24pp. Small corrections which do not have influence results of the paper. Journal reference is adde