Function Of Kinetic Energy Research Articles

Inducing Porosity on Hollow Nanoparticles by Hypervelocity Impacts

The large surface-to-volume ratio of hollow palladium nanoparticles (hNPs) offers room to improve their hydrogen storage capacity as well as their catalytic activity. However, a less explored possibility is to use, in addition, the internal cavity. Here we explore, through classical molecular dynamics, the possibility of boring channels across the hNP wall by collision with solid Pd nanoprojectiles at high velocities, as well as their resilience to maintain their spherical geometry. We choose a stable hNP with an inner diameter of 13 nm and an outer diameter of 15 nm. The projectiles are Pd NPs of 1.5, 2.4, and 3.0 nm, respectively. We consider collision speeds between 3 and 15 km/s, with an impact parameter between 0 to 7 nm. Four different regimes, as a function of kinetic energy and impact parameter of the projectile, are found. For low speeds, the projectile is not able to penetrate the target and only creates surface craters. For a narrow range of intermediate speeds, the projectile enters the target...

Comprehensive overview of the Point-by-Point model of prompt emission in fission

The investigation of prompt emission in fission is very important in understanding the fission process and to improve the quality of evaluated nuclear data required for new applications. In the last decade remarkable efforts were done for both the development of prompt emission models and the experimental investigation of the properties of fission fragments and the prompt neutrons and $\gamma$ -ray emission. The accurate experimental data concerning the prompt neutron multiplicity as a function of fragment mass and total kinetic energy for 252Cf(SF) and 235 (n, f) recently measured at JRC-Geel (as well as other various prompt emission data) allow a consistent and very detailed validation of the Point-by-Point (PbP) deterministic model of prompt emission. The PbP model results describe very well a large variety of experimental data starting from the multi-parametric matrices of prompt neutron multiplicity $\nu (A,TKE)$ and $\gamma$ -ray energy $E_{\gamma}(A,TKE)$ which validate the model itself, passing through different average prompt emission quantities as a function of A (e.g., $\nu(A)$ , $E_{\gamma}(A)$ , $\langle \varepsilon \rangle (A)$ etc.), as a function of TKE (e.g., $\nu (TKE)$ , $E_{\gamma}(TKE)$ ) up to the prompt neutron distribution $P (\nu)$ and the total average prompt neutron spectrum. The PbP model does not use free or adjustable parameters. To calculate the multi-parametric matrices it needs only data included in the reference input parameter library RIPL of IAEA. To provide average prompt emission quantities as a function of A, of TKE and total average quantities the multi-parametric matrices are averaged over reliable experimental fragment distributions. The PbP results are also in agreement with the results of the Monte Carlo prompt emission codes FIFRELIN, CGMF and FREYA. The good description of a large variety of experimental data proves the capability of the PbP model to be used in nuclear data evaluations and its reliability to predict prompt emission data for fissioning nuclei and incident energies for which the experimental information is completely missing. The PbP treatment can also provide input parameters of the improved Los Alamos model with non-equal residual temperature distributions recently reported by Madland and Kahler, especially for fissioning nuclei without any experimental information concerning the prompt emission.

Investigation of electron mobility and saturation velocity limits in gallium nitride using uniaxial dielectric continuum model

Here we introduce a uniaxial dielectric continuum model with temperature-dependent phonon mode frequencies to study temperature- and orientation-dependent polar-optical-phonon limited electron mobility and saturation velocity in uniaxial semiconductors. The formalism for calculating electron scattering rates, momentum relaxation rates, and rate of energy change as a function of the electron kinetic energy and incident electron angle with respect to the c-axis are presented and evaluated numerically. Electron–longitudinal-optical-phonon interactions are shown to depend weakly on the electron incident angle, whereas the electron–transverse-optical-phonon interactions around the emission threshold energy are observed to depend strongest on the electron incident angle when varied from π/4 to π/2 (with respect to the c-axis). We provide electron mobility and saturation velocity limits in different GaN crystal orientations as a function of temperature and electron concentration. At room temperature and for an electron density of 5 × 1018 cm−3, electron mobility limit of ∼3200 cm2/V s and electron saturation velocity limit of 3.15 × 107 cm/s are calculated. Both GaN electron mobility and saturation velocity are observed to be governed by the longitudinal-optical-phonon interaction, and their directional anisotropy is shown to vary less than 5% as the electron incident angle with respect to the c-axis is varied from 0 to π/2. Overall, we develop a theoretical formalism for calculating anisotropic properties of uniaxial wurtzite semiconductors.

A generalization of szebehely's inverse problem of dynamics in dimension three

Extending a previous paper, we present a generalization in dimension 3 of the traditional Szebehely-type inverse problem. In that traditional setting, the data are curves determined as the intersection of two families of surfaces, and the problem is to find a potential V such that the Lagrangian L = T – V, where T is the standard Euclidean kinetic energy function, generates integral curves which include the given family of curves. Our more general way of posing the problem makes use of ideas of the inverse problem of the calculus of variations and essentially consists of allowing more general kinetic energy functions, with a metric which is still constant, but need not be the standard Euclidean one. In developing our generalization, we review and clarify different aspects of the existing literature on the problem and illustrate the relevance of the newly introduced additional freedom with many examples.

Measurement of D^{0} Azimuthal Anisotropy at Midrapidity in Au+Au Collisions at sqrt[s_{NN}]=200 GeV.

We report the first measurement of the elliptic anisotropy (v_{2}) of the charm meson D^{0} at midrapidity (|y|<1) in Au+Au collisions at sqrt[s_{NN}]=200 GeV. The measurement was conducted by the STAR experiment at RHIC utilizing a new high-resolution silicon tracker. The measured D^{0} v_{2} in 0%-80% centrality Au+Au collisions can be described by a viscous hydrodynamic calculation for a transverse momentum (p_{T}) of less than 4 GeV/c. The D^{0} v_{2} as a function of transverse kinetic energy (m_{T}-m_{0}, where m_{T}=sqrt[p_{T}^{2}+m_{0}^{2}]) is consistent with that of light mesons in 10%-40% centrality Au+Au collisions. These results suggest that charm quarks have achieved local thermal equilibrium with the medium created in such collisions. Several theoretical models, with the temperature-dependent, dimensionless charm spatial diffusion coefficient (2πTD_{s}) in the range of ∼2-12, are able to simultaneously reproduce our D^{0} v_{2} result and our previously published results for the D^{0} nuclear modification factor.

Ring-Puckering Potential Energy Functions for Trimethylene Sulfide and Its Monovalent Cation.

The spectra and ring-puckering potential energy function for trimethylene sulfide cation (TMS+) from vacuum ultraviolet mass-analyzed threshold ionization spectra have recently been reported. To provide an in-depth comparison of the potential function with that of trimethylene sulfide (TMS) itself, we have used ab initio MP2/cc-pVTZ calculations and DFT B3LYP/cc-pVTZ calculations to predict the structures of both TMS and TMS+ and then used these to calculate coordinate-dependent ring-puckering kinetic energy functions for both species. These kinetic energy functions allowed us to calculate refined potential energy functions of the puckering for both molecules based on the previously published spectra. TMS has an experimental barrier of 271 cm-1 and energy minima at ring-puckering angles of ±29°. For TMS+ the barrier is 60 cm-1 and the energy minima correspond to ring-puckering angles of ±21°. The lower barrier for the cation reflects the smaller amount of angle strain in the ring angles for TMS+.

Influence of electron beam irradiation on DC surface flashover of polyimide in vacuum

A satellite operates in a harsh environment including high vacuum and radiations. The vacuum-dielectric interface is the most vulnerable area to flashover discharge. Moreover, the presence of electron radiation will further decrease the flashover voltage. However, the influence of electron radiation on surface flashover remains unclear. We have performed a study on vacuum DC surface flashover during electron beam irradiation as a function of electron kinetic energy and incident direction on polyimide representative of spacecraft dielectrics. The electron radiation was accompanied by electron deposition and bombardment effects on the polyimide surface. The surface flashover voltage was experimentally found to significantly depend on the kinetic energy and incident angle of the electron beam. By calculating the trajectories of incident electron beam, we further found that the surface flashover voltages are closely connected to the irradiated area. During low energy electron beam irradiation, kinetic electrons are repelled away from the dielectric surface by the applied electric field, and deposited electrons will be dominant in the flashover process, promoting the surface flashover voltage. However, when the electron beam energy is high, kinetic electrons can overcome the applied electric field and strike the dielectric surface to generate secondary electrons, which will replace the field-emission electrons to serve as seed electrons, and initiate the flashover at a much lower applied voltage. These observations and analyses are expected to benefit the research into mitigating spacecraft discharge, and promote the knowledge of surface flashover.

Modelling of air entrainment during pouring of metal castings

Air entrainment during mould filling is major source of oxide inclusions in metal castings. A model is developed to predict the location and rate of air entrainment as part of a standard mould filling simulation. The local air entrainment rate is calculated as a function of the turbulent kinetic energy and the magnitude of the normal velocity gradient of the liquid metal at the liquid–air interface. The model is validated through comparisons with experimental air entrainment measurements for a plunging water jet. It is then applied to study the effect of gating system design and pouring parameters on air entrainment in steel casting. Air entrainment is found to be reduced for a metal stream from the ladle that is centred above the pouring cup or the use of an offset step pouring basin, low head heights, high flow rates, a pressurised gating system and bottom ingates.

Generalized Shannon’s entropy as generator of local density functionals

In this letter, we present a relationship among Shannon’s generalized entropy and kinetic energy, exchange energy, and Coulomb energy density functionals, also we showed that the electron density gradient of Fisher’s entropy may be simplified to density powers, such that it is possible to write a general expression of the local electron energy as a linear combination of generalized entropies. The functional proposed was tested in the first ten neutral atoms and on a set of 1864 molecules. The proposed local density functional overestimates the energy in cases highly correlated electronic systems.

A spatially‐averaged two‐fluid model for dense large‐scale gas‐solid flows

We present a spatially‐averaged two‐fluid model (SA‐TFM), which is derived from ensemble averaging the kinetic‐theory based TFM equations. The residual correlation for the gas‐solid drag, which appears due to averaging, is derived by employing a series expansion to the microscopic drag coefficient, while the Reynolds‐stress‐like contributions are closed similar to the Boussinesq‐approximation. The subsequent averaging of the linearized drag force reveals that averaged interphase momentum exchange is a function of the turbulent kinetic energies of both, the gas and solid phase, and the variance of the solids volume fraction. Closure models for these quantities are derived from first principles. The results show that these new constitutive relations show fairly good agreement with the fine grid data obtained for a wide range of particle properties. Finally, the SA‐TFM model is applied to the coarse grid simulation of a bubbling fluidized bed revealing excellent agreement with the reference fine grid solution. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3544–3562, 2017

Rock anelasticity due to patchy saturation and fabric heterogeneity: A double double‐porosity model of wave propagation

AbstractHeterogeneity of rock's fabric can induce heterogeneous distribution of immiscible fluids in natural reservoirs, since the lithological variations (mainly permeability) may affect fluid migration in geological time scales, resulting in patchy saturation of fluids. Therefore, fabric and saturation inhomogeneities both affect wave propagation. To model the wave effects (attenuation and velocity dispersion), we introduce a double double‐porosity model, where pores saturated with two different fluids overlap with pores having dissimilar compressibilities. The governing equations are derived by using Hamilton's principle based on the potential energy, kinetic energy, and dissipation functions, and the stiffness coefficients are determined by gedanken experiments, yielding one fast P wave and four slow Biot waves. Three examples are given, namely, muddy siltstones, clean dolomites, and tight sandstones, where fabric heterogeneities at three different spatial scales are analyzed in comparison with experimental data. In muddy siltstones, where intrapore clay and intergranular pores constitute a submicroscopic double‐porosity structure, wave anelasticity mainly occurs in the frequency range (104–107 Hz), while in pure dolomites with microscopic heterogeneity of grain contacts and tight sandstones with mesoscopic heterogeneity of less consolidated sands, it occurs at 103–107 Hz and 101–103 Hz (seismic band), respectively. The predicted maximum quality factor of the fast compressional wave for the sandstone is the lowest (approximately 8), and that of the dolomite is the highest. The results of the diffusive slow waves are affected by the strong friction effects between solids and fluids. The model describes wave propagation in patchy‐saturated rocks with fabric heterogeneity at different scales, and the relevant theoretical predictions agree well with the experimental data in fully and partially saturated rocks.

High precision measurements on fission-fragment de-excitation

In recent years nuclear fission has gained renewed interest both from the nuclear energy community and in basic science. The first, represented by the OECD Nuclear Energy Agency, expressed the need for more accurate fission cross-section and fragment yield data for safety assessments of Generation IV reactor systems. In basic science modelling made much progress in describing the de-excitation mechanism of neutron-rich isotopes, e.g. produced in nuclear fission. Benchmarking the different models require a precise experimental data on prompt fission neutron and γ-ray emission, e.g. multiplicity, average energy per particle and total dissipated energy per fission, preferably as function of fission-fragment mass and total kinetic energy. A collaboration of scientists from JRC Geel (formerly known as JRC IRMM) and other institutes took the lead in establishing a dedicated measurement programme on prompt fission neutron and γ-ray characteristics, which has triggered even more measurement activities around the world. This contribution presents new advanced instrumentation and methodology we use to generate high-precision spectral data and will give a flavour of future data needs and opportunities.

The Glauber model and heavy ion reaction and elastic scattering cross sections

We revisit the Glauber model to study the heavy ion reaction cross sections and elastic scattering angular distributions at low and intermediate energies. The Glauber model takes nucleon–nucleon cross sections and nuclear densities as inputs and has no free parameter and thus can predict the cross sections for unknown systems. The Glauber model works at low energies down to Coulomb barrier with very simple modifications. We present new parametrization of measured total cross sections as well as ratio of real to imaginary parts of the scattering amplitudes for pp and np collisions as a function of nucleon kinetic energy. The nuclear (charge) densities obtained by electron scattering form factors measured in large momentum transfer range are used in the calculations. The heavy ion reaction cross sections are calculated for light and heavy systems and are compared with available data measured over large energy range. The model gives excellent description of the data. The elastic scattering angular distributions are calculated for various systems at different energies. The model gives good description of the data at small momentum transfer but the calculations deviate from the data at large momentum transfer.

Estimating the speed-up of adaptively restrained Langevin dynamics

We consider Adaptively Restrained Langevin dynamics, in which the kinetic energy function vanishes for small velocities. Properly parameterized, this dynamics makes it possible to reduce the computational complexity of updating inter-particle forces, and to accelerate the computation of ergodic averages of molecular simulations. In this paper, we analyze the influence of the method parameters on the total achievable speed-up. In particular, we estimate both the algorithmic speed-up, resulting from incremental force updates, and the influence of the change of the dynamics on the asymptotic variance. This allows us to propose a practical strategy for the parameterization of the method. We validate these theoretical results by representative numerical experiments.

Diverging Time Scale in the Dimensional Crossover for Liquids in Strong Confinement.

We study a strongly interacting dense hard-sphere system confined between two parallel plates by event-driven molecular dynamics simulations to address the fundamental question of the nature of the 3D to 2D crossover. As the fluid becomes more and more confined the dynamics of the transverse and lateral degrees of freedom decouple, which is accompanied by a diverging time scale separating 2D from 3D behavior. Relying on the time-correlation function of the transversal kinetic energy, the scaling behavior and its density dependence is explored. Surprisingly, our simulations reveal that its time dependence becomes purely exponential such that memory effects can be ignored. We rationalize our findings quantitatively in terms of an analytic theory which becomes exact in the limit of strong confinement.

Photodetachment spectroscopy of the beryllium oxide anion, BeO.

The X2Σ+→X1Σ+ anion to neutral ground state photodetachment of BeO- has been studied by means of photoelectron velocity-map imaging spectroscopy in a newly constructed apparatus. Vibrational intervals, rotational constants, and the electron detachment threshold of BeO- were determined for the first time. The small moment of inertia of beryllium oxide allowed for the observation of partially resolved rotational contours. Analyses of these contours provided evidence of several detachment channels resulting from changes in molecular rotational angular momenta of ΔN = 0, ±1, ±2, and ±3. The relative intensities of these detachment channels were found to be a function of the electron kinetic energy. Experimental results are compared to the predictions of high level ab initio calculations.

Gravitational Time Dilation Derived from Special Relativity and Newtonian Gravitational Potential

Einstein was known for often presenting "gedanken" or thought experiments (Miller, 1999). This paper is such an exercise. Time dilation in Special Relativity is based on the derived value of γ (a scalar value) (Einstein, 1905). γ will be calculated as a function of relativistic kinetic energy, allowing time dilation to become a function of relativistic kinetic energy. With the new methodology constructed, a "gedanken” experiment is considered. Can a time dilation function be derived, using Newtonian gravitational potential energy in the same manor kinetic energy was used in Special Relativity? This paper carries out the derivation and compares the results with General Relativity's Schwarzschild solution. The what if thought experiment provides a first order accuracy to GR's Schwarzschild solution.

Accurate Reference Data for the Nonadditive, Noninteracting Kinetic Energy in Covalent Bonds.

The nonadditive, noninteracting kinetic energy (NAKE) is calculated numerically for fragments of H2, Li2, Be2, C2, N2, F2, and Na2 within partition density functional theory (PDFT). The resulting fragments are uniquely determined, and their sum reproduces the Kohn-Sham molecular density of the corresponding XC functional. We present the NAKE of these unique fragments as a function of internuclear separation and compare the use of fractional orbital occupation to the usual PDFT ensemble method for treating the fragment energies and densities. We also compare Thomas-Fermi and von Weizsäcker approximate kinetic energy functionals to the numerically exact solutions and find significant regions where the von Weizsäcker functional is nearly exact. In addition, we find that the von Weizsäcker approximation can provide accurate NAKE in stretched covalent bonds, especially in the cases of Li2 and Na2.

The new double energy-velocity spectrometer VERDI

VERDI (VElocity foR Direct particle Identification) is a fission-fragment spectrometer recently put into operation at JRC-Geel. It allows measuring the kinetic energy and velocity of both fission fragments simultaneously. The velocity provides information about the pre-neutron mass of each fission fragment when isotropic prompt-neutron emission from the fragments is assumed. The kinetic energy, in combination with the velocity, provides the post-neutron mass. From the difference between pre- and post-neutron masses, the number of neutrons emitted by each fragment can be determined. Multiplicity as a function of fragment mass and total kinetic energy is one important ingredient, essential for understanding the sharing of excitation energy between fission fragments at scission, and may be used to benchmark nuclear de-excitation models. The VERDI spectrometer design is a compromise between geometrical efficiency and mass resolution. The spectrometer consists of an electron detector located close to the target and two arrays of silicon detectors, each located 50 cm away from the target. In the present configuration pre-neutron and post-neutron mass distributions are in good agreement with reference data were obtained. Our latest measurements performed with spontaneously fissioning 252Cf is presented along with the developed calibration procedure to obtain pulse height defect and plasma delay time corrections.

A Low-cost Beam Profiler Based On Cerium-doped Silica Fibers

A beam profiler called the Universal Beam Monitor (UniBEaM) has been developed by D-Pace Inc. (Canada) and the Albert Einstein Center for Fundamental Physics, Laboratory for High Energy Physics, University of Bern (Switzerland). The device is based on passing 100 to 600 micron cerium-doped optical fibers through a particle beam. Visible scintillation light from the sensor fibers is transmitted over distances of tens of meters to the light sensors with minimal signal loss and no susceptibility to electromagnetic fields. The probe has an insertion length of only 70mm. The software plots the beam intensity distribution in the horizontal and vertical planes, and calculates the beam location and integrated profile area, which correlates well with total beam current. UniBEaM has a large dynamic range, operating with beam currents of ∼pA to mA, and a large range of particle kinetic energies of ∼keV to GeV, depending on the absorbed power density. Test data are presented for H- beams at 25keV for 500μA, and H+ beams at 18MeV for 50pA to 10μA. Maximum absorbed power density of the optical fiber before thermal damage is discussed in relation to dE/dx energy deposition as a function of particle type and kinetic energy. UniBEaM is well suited for a wide variety of beamlines including discovery science applications, radio-pharmaceutical production, hadron therapy, industrial ion beam applications including ion implantation, industrial electron beams, and ion source testing.