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

13C labeling experiments at metabolic nonstationary conditions: An exploratory study

<p>Abstract</p> <p>Background</p> <p>Stimulus Response Experiments to unravel the regulatory properties of metabolic networks are becoming more and more popular. However, their ability to determine enzyme kinetic parameters has proven to be limited with the presently available data. In metabolic flux analysis, the use of ¹³C labeled substrates together with isotopomer modeling solved the problem of underdetermined networks and increased the accuracy of flux estimations significantly.</p> <p>Results</p> <p>In this contribution, the idea of increasing the information content of the dynamic experiment by adding ¹³C labeling is analyzed. For this purpose a small example network is studied by simulation and statistical methods. Different scenarios regarding available measurements are analyzed and compared to a non-labeled reference experiment. Sensitivity analysis revealed a specific influence of the kinetic parameters on the labeling measurements. Statistical methods based on parameter sensitivities and different measurement models are applied to assess the information gain of the labeled stimulus response experiment.</p> <p>Conclusion</p> <p>It was found that the use of a (specifically) labeled substrate will significantly increase the parameter estimation accuracy. An overall information gain of about a factor of six is observed for the example network. The information gain is achieved from the specific influence of the kinetic parameters towards the labeling measurements. This also leads to a significant decrease in correlation of the kinetic parameters compared to an experiment without ¹³C-labeled substrate.</p

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

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

On the existence of supersolid helium-4 monolayer films

Extensive Monte Carlo simulations of helium-4 monolayer films adsorbed on weak substrates have been carried out, aimed at ascertaining the possible occurrence of a quasi-two-dimensional supersolid phase. Only crystalline films not registered with underlying substrates are considered. Numerical results yield strong evidence that helium-4 will not form a supersolid film on {any} substrate strong enough to stabilize a crystalline layer. On weaker substrates, continuous growth of a liquid film takes place

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

Mathematical processing of experimental data ignition composite solid propellant solitary heated particles

This article presents a mathematical method for processing experimental data. Were obtained mathematical expressions for delay the ignition of condensed matter by single particles heated from the initial temperature of the particles of the obtained data, and select the most appropriate dependences

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

Analysis of lead oxide (PbO) layers for direct conversion X-ray detection

Lead oxide (PbO) is a candidate direct conversion material for medical X-ray applications. We produced various samples and detectors with thick PbO layers. X-ray performance data such as dark current, charge generation yield and temporal behavior were evaluated on small samples. The influence of the metal contacts was studied in detail. We also covered large a-Si thin-film transistor (TFT)-plates with PbO. Imaging results from a large detector with an active area of 18 cm × 20 cm are presented. The detector has 960 × 1080 pixels with a pixel pitch of 184 ?m. The modulation transfer function at the Nyquist frequency of 2.72 linepairs/mm is 50%. Finally, a full size X-ray image is presented