Search

The forcing parameter is an important value for determining the solidification conditions under electromagnetic impact. This parameter tends to change and affect the solidification conditions. The aim of this work is to investigate the influence of the liquid–solid interface position and deformation on the forcing parameter. Electromagnetic analysis by the finite element method, validated experimentally, was used as the main research tool. Horizontal solidification in the presence of a traveling magnetic field installation was chosen as the experimental setup. Various interface deformations were investigated, as well as its propagation. As a result of the calculation, the electromagnetic (EM) forcing parameter functions were obtained. It was determined that the liquid–solid interface propagation causes significant attenuation of the forcing parameter, as well as interface slope. The results were analyzed and approximated by analytical functions. These functions can be easily used to determine values for various solidification conditions and stages.

This paper presents the results of a study on impact of high-power heat load and tungsten (W) surface carbidization on its structural-phase composition and physical-mechanical properties. In this r...

Purpose The purpose of this paper is to determine how the shape of the container affects the efficiency of a traveling magnetic field (TMF) stirring. Design/methodology/approach The modeling approach is based on finite element software Comsol which includes harmonic electromagnetic (EM), transient CFD and particle tracing modules. For evaluating efficiency of stirring the particle, homogenization parameter is used. Findings It has been determined that the use of an elliptical cylinder-shaped vessel allows better heat removal from the side surface and, at the same time, the stirring efficiency does not drop significantly. Practical implications The results of the work can be used in the design of EM stirring installations in which exothermic reactions occur. Originality/value The transient simulation of particle transport in a TMF-driven melt flow gives the opportunity to estimate the efficiency of stirring process in different vessel shapes.

Purpose The purpose of this paper is to search optimal shape of soft magnetic composite-based inserts used to compensate the working gap between the liquid metal and the induction stirrer in metallurgical installations. Design/methodology/approach The study was based on numerical simulation of electromagnetic processes in frequency domain. To optimize inserts shape, the Nelder–Mead method was used. The maximum of integral electrodynamic force along x-axis was chosen as the objective function. All simulations were performed in finite element software package Comsol Multiphysics. Findings Optimal inserts shape was determined, at which the value of integral electrodynamic force along x-axis increased by 20% from 692 to 792 N. Originality/value Magnetic concentrators based on soft magnetic composite materials have long been used in high-frequency systems; at the same time, their use in low-frequency systems has not been previously considered in detail. The study of the shape effect of concentrators on the effectiveness of electromagnetic field in a liquid metal in a three-dimensional formulation was carried out for the first time.

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules obtainable from a set of atomic species grow exponentially with the size of the system, limiting the efficiency of classical sampling algorithms. On the other hand, quantum computers can provide an efficient solution to the sampling of the chemical compound space for the optimization of a given molecular property. In this work, we propose a quantum algorithm for addressing the material design problem with a favourable scaling. The core of this approach is the representation of the space of candidate structures as a linear superposition of all possible atomic compositions. The corresponding ‘alchemical’ Hamiltonian drives the optimization in both the atomic and electronic spaces leading to the selection of the best fitting molecule, which optimizes a given property of the system, e.g., the interaction with an external potential as in drug design. The quantum advantage resides in the efficient calculation of the electronic structure properties together with the sampling of the exponentially large chemical compound space. We demonstrate both in simulations and with IBM Quantum hardware the efficiency of our scheme and highlight the results in a few test cases. This preliminary study can serve as a basis for the development of further material design quantum algorithms for near-term quantum computers., Chemical Science, 12 (12), ISSN:2041-6520, ISSN:2041-6539

Volume heating used during silicon purifying permit uniformly temperature distribution at all bowl. Forced stirring with quartz devices is associated with high process failure and low efficiency. To intensify the process, it is proposed to use electromagnetic stirring by a traveling magnetic field. Optimal shape design of stirrer can be obtained by a multiobjective optimization method based on gradient descent to reduce primary weight and stirring time, simultaneously. Objective function is defined from magnetohydrodynamic problem considered in this article. Also, different version of magnetic core is examined. This coupled-field problem is decoupled to separated magnetic, hydrodynamic and thermal problems and analyzed by means of finite element method, while the optimal design problem is solved by gradient-based algorithm and best solution is chosen.

In this paper, we investigate the transient response of Lorentz force at finite magnetic Reynolds numbers $ {R_{m}}$ on an electrically conducting rectangular bar that is strongly accelerated in the presence of a localized magnetic field. This is done through numerical simulations utilizing a coupled finite-difference boundary element approach. The results show good qualitative agreement with existing experiments with a circular cylinder. The Lorentz force rise time is seen to be a linear function of $ {R_{m}}$ . The linear dependence of Lorentz force on $ {R_{m}}$ is found to be valid only for low values of $ {R_{m}}$ , after which the slope decays leading to an apparent saturation in the Lorentz force at sufficiently large values of $ {R_{m}}$ . Our results provide important information for the development of Lorentz force flow meters for transient flow applications.

Doping of pristine materials can change their chemical and electrical properties. Namely nitrogen doping of graphene results in modulation of electronic properties of graphene. In this work we present experimental results on nitrogen doped graphene fabricated in two steps. At first, the graphene samples were synthesized by a chemical vapor deposition method on copper foils. Then they were treated with ammonia radio frequency discharge plasma. The prepared samples were investigated by atomic-force microscopy (AFM), scanning electron microscopy (SEM), Raman spectroscopy, optical absorption spectroscopy including Fourier transform infrared spectroscopy (FTIR), X-ray and ultraviolet photoelectron spectroscopy. In doped graphene a dependence of N-atom concentration on the treatment parameters has been revealed. A maximum doping level of 3 atomic % has been obtained and the shift of valence band maximum of 0.2 eV was observed at this concentration of nitrogen.

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to describe quantum states characterized by strong electronic correlations and multi-reference projective methods become necessary. On the other hand, quantum algorithms for the solution of many-electron problems have also emerged recently. The quantum unitary variant of CC (UCC) with singles and doubles (q-UCCSD) is a popular wavefunction Ansatz for the variational quantum eigensolver algorithm. The variational nature of this approach can lead to significant advantages compared to its classical equivalent in the projected form, in particular, for the description of strong electronic correlation. However, due to the large number of gate operations required in q-UCCSD, approximations need to be introduced in order to make this approach implementable in a state-of-the-art quantum computer. In this work, we evaluate several variants of the standard q-UCCSD Ansatz in which only a subset of excitations is included. In particular, we investigate the singlet and pair q-UCCD approaches combined with orbital optimization. We show that these approaches can capture the dissociation/distortion profiles of challenging systems, such as H4, H2O, and N2 molecules, as well as the one-dimensional periodic Fermi-Hubbard chain. These results promote the future use of q-UCC methods for the solution of challenging electronic structure problems in quantum chemistry.

Solar Energetic Particles (SEPs) are an important aspect of space weather. SEP events posses a high destructive potential, since they may cause disruptions of communication systems on Earth and be fatal to crew members onboard spacecrafts and, in extreme cases, harmful to people onboard high altitude flights. However, currently the research community lacks efficient tools to predict such hazardous threat and its potential impacts. Such a tool is a first step for mankind to improve its preparedness for SEP events and ultimately to be able to mitigate their effects. The main goal of the presented research effort is to develop a computational tool that will have the forecasting capability and can be serve in operational system that will provide live information on the current potential threats posed by SEP based on the observations of the Sun. In the present paper the fundamentals of magneto-hydrodynamical (MHD) simulations are discussed to be employed as a critical part of the desired forecasting system.

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework into the particle-hole picture, which offers a better starting point for the expansion of the system wave function. The state of the molecular system at study is parametrized so as to constrain the sampling of the corresponding wave function within the sector of the molecular Fock space that contains the desired solution. To this end, we explore different mapping schemes to encode the molecular ground state wave function in a quantum register. Taking advantage of known post-Hartree-Fock quantum chemistry approaches and heuristic Hilbert space search quantum algorithms, we propose a new family of quantum circuits based on exchange-type gates that enable accurate calculations while keeping the gate count (i.e., the circuit depth) low. The particle-hole implementation of the unitary coupled-cluster (UCC) method within the variational quantum eigensolver approach gives rise to an efficient quantum algorithm, named q-UCC, with important advantages compared to the straightforward translation of the classical coupled-cluster counterpart. In particular, we show how a single Trotter step in the expansion of the system wave function can accurately and efficiently reproduce the ground-state energy of simple molecular systems.

In the present work, we test the predictions of the AWSoM model, a global extended-MHD model capable of calculating the propagation and turbulent dissipation of Alfv\'en waves in any magnetic topology, against high resolution spectra of the quiescent off-disk solar corona. Wave dissipation is the only heating mechanism assumed in this model. Combining 3D model results with the CHIANTI atomic database, we were able to create synthetic line-of-sight spectra which include the effects of emission line broadening due to both thermal and wave-related non-thermal motions. To the best of our knowledge this is the first time a global model is used to obtain synthetic non-thermal line broadening. We obtained a steady-state solution driven by a synoptic magnetogram and compared the synthetic spectra with SUMER observations of a quiescent area above the solar west limb extending between 1.04 and 1.34 solar radii at the equator. Both the predicted line widths and the total line fluxes were consistent with the observations for 5 different ions. Using the 3D solution, we were able to locate the region that contributes the most to the emission used for measuring electron properties; we found that region to be a pseudo-streamer, whose modeled electron temperature and density are consistent with the measured ones. We conclude that the turbulent dissipation assumed in the AWSoM model can simultaneously account for the observed heating rate and the non-dissipated wave energy observed in this region., Comment: Submitted to the Astrophysical Journal

Here, we present investigation of the influence of different gases (carbon dioxide, ammonia, and iodine vapor) on the sensory properties of graphene and single-wall carbon nanotube films. The gas molecules are adsorbed by carbon films (graphene or nanotubes) and change the film’s electrical resistance. In the course of this work, the setup for studying the electrophysical properties of carbon nanomaterials has been designed and constructed in the lab. With this home-made equipment, we have demonstrated a high efficiency of graphene and nanotubes as adsorbents of different gases and a possibility to use these materials as gas sensors. We have also performed a chemical modification of graphene and carbon nanotubes by attaching the nanoparticles of calcium carbonate (CaCO3) to improve the sensitivity and selectivity of sensors.

This work demonstrates an integrated approach for studying graphene films with various doping levels of nitrogen. The graphene films grown by a chemical vapor deposition technique were doped by treatment in ammonia radio-frequency plasma discharge. The graphene samples were investigated by x-ray photoelectron spectroscopy with a parallel registration of photoemission angular dependence. The depth-dependent changes in the valence band structure and the nitrogen peak position were recorded. The shift of valence band maximum relative to the initial value (0.13±0.04 eV) was observed using ultraviolet photoelectron spectroscopy. The dispersion and the shift of π-plasmon maximum were registered while the percentage of nitrogen atoms in two-dimensional graphene network increased.

We carry out the first time-dependent numerical MagnetoHydroDynamic modeling of an extrasolar planetary system to study the interaction of the stellar magnetic field and wind with the planetary magnetosphere and outflow. We base our model on the parameters of the HD 189733 system, which harbors a close-in giant planet. Our simulation reveals a highly structured stellar corona characterized by sectors with different plasma properties. The star-planet interaction varies in magnitude and complexity, depending on the planetary phase, planetary magnetic field strength, and the relative orientation of the stellar and planetary fields. It also reveals a long, comet-like tail which is a result of the wrapping of the planetary magnetospheric tail by its fast orbital motion. A reconnection event occurs at a specific orbital phase, causing mass loss from the planetary magnetosphere that can generate a hot spot on the stellar surface. The simulation also shows that the system has sufficient energy to produce hot-spots observed in Ca II lines in giant planet hosting stars. However, the short duration of the reconnection event suggests that such SPI cannot be observed persistently., Submitted to ApJ, 14 pages, 9 figures

We describe, analyze and validate the recently developed Alfv\'en Wave Solar Model (AWSoM), a 3D global model starting from the top of the chromosphere and extending into interplanetary space (up to 1-2 AU). This model solves the extended two temperature magnetohydrodynamics equations coupled to a wave kinetic equation for low frequency Alfv\'en waves. In this picture, heating and acceleration of the plasma are due to wave dissipation and wave pressure gradients, respectively. The dissipation process is described by a fully developed turbulent cascade of counter-propagating waves. We adopt a unified approach for calculating the wave dissipation in both open and closed magnetic field lines, allowing for a self-consistent treatment of any magnetic topology. Wave dissipation is the only heating mechanism assumed in the model, and no geometric heating functions are invoked. Electron heat conduction and radiative cooling are also included. We demonstrate that the large-scale, steady-state (in the co-rotating frame) properties of the solar environment are reproduced, using three adjustable parameters: the Poynting flux of chromospheric Alfv\'en waves, the perpendicular correlation length of the turbulence, and a pseudo-reflection coefficient. We compare model results for Carrington Rotation 2063 (November-December 2007) to remote observations in the EUV and X-ray ranges from STEREO, SOHO and Hinode spacecraft, as well as to in-situ measurements performed by Ulysses. The model results are in good agreement with observations. This is the first global model capable of simultaneously reproducing the multi-wavelength observations of the lower corona and the wind structure beyond Earth's orbit.

We derive a modified non-perturbative Lorentz-Abraham-Dirac equation. It satisfies the proper conservation laws, particularly, it conserves the generalized momentum, the latter property eliminates the symmetry-breaking runaway solution. The equation allows a consistent calculation of the electron current, the radiation effect on the electron momentum, and the radiation itself, for a single electron or plasma electrons in strong electromagnetic fields. The equation is applied to a simulation of a strong laser pulse interaction with a plasma target. Some analytical solutions are also provided.