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The structure of low-energy collective states in the neutron-rich nucleus {sup 44}S is analyzed using a microscopic collective Hamiltonian model based on energy density functionals (EDFs). The calculated triaxial energy map, low-energy spectrum and corresponding probability distributions indicate a coexistence of prolate and oblate shapes in this nucleus.
To understand the Electron Energy Distribution Function (EEDF) in the Radio Frequency Inductively Coupled Plasmas (RF-ICPs) in hydrogen negative ion sources, the detailed analysis of the EEDFs using numerical simulation and the theoretical approach based on Boltzmann equation has been performed. It is shown that the EEDF of RF-ICPs consists of two parts, one is the low energy part which obeys Maxwellian distribution and the other is high energy part deviated from Maxwellian distribution. These simulation results have been confirmed to be reasonable by the analytical approach. The results suggest that it is possible to enhance the dissociation of molecules and the resultant H{sup −} negative ion production by reducing the gas pressure.
This grant had two components: Density functional theory and pairing and Nuclear reactions. This final report summarizes the activities for this SciDAC-2 project.
Time evolution of the Electron Energy Distribution Function (EEDF) is measured in pulsed hydrogen microwave magnetoplasma working at 2.45 GHz. Analysis is performed both in resonance (B = 0.087 T) and off-resonance conditions (B = 0.120 T), at two pressures (0.38 Pa and 0.62 Pa), respectively, and for different incident microwave powers. The important effect of the magnetic field on the electron kinetic is discussed, and a critical analysis of Langmuir probe measurements is given. The Electron Energy Distribution Function is calculated using the Druyvesteyn theory (EEDF) and is corrected using the theory developed by Arslanbekov in the case of magnetized plasma. Three different components are observed in the EEDF, whatever the theory used. They are: (a) a low electron energy component at energy lower than 10 eV, which is ascribed to the electron having inelastic collisions with heavy species (H{sub 2}, H, ions), (b) a high energy component with a mean energy ranging from 10 to 20 eV, which is generally ascribed to the heating of the plasma by the incident microwave power, and (c) a third component observed between the two other ones, mainly at low pressure and in resonance conditions, has been correlated to the electron rotation in the magnetic field.
A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the calibration is enabled by the emulation of the high-fidelity model through the implementation of a reduced basis method (RBM)—a set of dimensionality reduction techniques that can speed up demanding calculations involving partial differential equations by several orders of magnitude. The RBM emulator we build—using only 100 evaluations of the high-fidelity model—is able to accurately reproduce the model calculations in tens of milliseconds on a personal computer, an increase in speed of nearly a factor of 3,300 when compared to the original solver. Besides the analysis of the posterior distribution of parameters, we present model calculations for masses and radii with properly estimated uncertainties. We also analyze the model correlation between the slope of the symmetry energy L and the neutron skin of 48 Ca and 208 Pb. The straightforward implementation and outstanding performance of the RBM makes it an ideal tool for assisting the nuclear theory community in providing reliable estimates with properly quantified uncertainties of physical observables. Such uncertainty quantification tools will become essential given the expected abundance of data from the recently inaugurated and future experimental and observational facilities.
Energy loss functions for protons and electrons in atomic and molecular gases and various metals, noting application to planetary atmospheres studies
Functional genomics remains a foundational field for establishing genotype-phenotype relationships that enable strain engineering. High-throughput (HTP) methods accelerate the Design-Build-Test-Learn cycle that currently drives synthetic biology towards a forward engineering future. Trackable mutagenesis techniques including transposon insertion sequencing and CRISPR-Cas-mediated genome editing allow for rapid fitness profiling of a collection, or library, of mutants to discover beneficial mutations. Due to the relative speed of these experiments compared to adaptive evolution experiments, iterative rounds of mutagenesis can be implemented for next-generation metabolic engineering efforts to design complex production and tolerance phenotypes. Further, the expansion of these mutagenesis techniques to novel bacteria are opening up industrial microbes that show promise for establishing a bio-based economy.
In this paper, we present a minimal nuclear energy density functional (NEDF) called “SeaLL1” that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by seven significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation of 1.46 MeV , two-neutron and two-proton separation energies with rms errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error ε r = 0.022 fm and a standard deviation σ r = 0.025 fm . SeaLL1 incorporates constraints on the equation of state (EoS) of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body ( NN ) interactions at the next-to-next-to-next-to leading order (N3LO) level and three-body ( NNN ) interactions at the next-to-next-to leading order (N2LO) level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. Finally, we identify additional phenomenological parameters that have little effect on ground-state properties but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.
We measured Electron Energy Distribution Functions (EEDFs) from below 200 eV to over 8 keV and spanning five orders-of-magnitude in intensity, produced in a low-power, RF-heated, tandem mirror discharge in the PFRC-II apparatus. The EEDF was obtained from the x-ray energy distribution function (XEDF) using a novel Poisson-regularized spectrum inversion algorithm applied to pulse-height spectra that included both Bremsstrahlung and line emissions. The XEDF was measured using a specially calibrated Amptek Silicon Drift Detector (SDD) pulse-height system with 125 eV FWHM at 5.9 keV. Finally, the algorithm is found to out-perform current leading x-ray inversion algorithms when the error due to counting statistics is high.
An energy-ratio function is introduced which greatly facilitates analysis and signal design for center-of-gravity feedback communication schemes. Using this function, we show that center-of-gravity feedback using regular-simplex signals achieves Shannon's lower bound on average energy per transmission for zero error probability if M, the number of messages, is 3, 4, or 5 and there is no constraint on system bandwidth.
A two-color detector includes a first absorber layer. The first absorber layer exhibits a first valence band energy characterized by a first valence band energy function. A barrier layer adjoins the first absorber layer at a first interface. The barrier layer exhibits a second valence band energy characterized by a second valence band energy function. The barrier layer also adjoins a second absorber layer at a second interface. The second absorber layer exhibits a third valence band energy characterized by a third valence band energy function. The first and second valence band energy functions are substantially functionally or physically continuous at the first interface and the second and third valence band energy functions are substantially functionally or physically continuous at the second interface.
We present results of Monte Carlo simulations of microchannel plate (MCP) response to x-rays in the 250 eV to 20 keV energy range as a function of both x-ray energy and impact angle. The model is based on the model presented in Rochau et al. (2006). However, while the Rochau et al. (2006) model was two-dimensional, and their results only went to 5 keV, our results have been expanded to 20 keV, and our model has been incorporated into a three-dimensional Monte Carlo MCP model that we have developed over the past several years (Kruschwitz et al. 2011). X-ray penetration through multiple MCP pore walls is increasingly important above 5 keV. The effect of x-ray penetration through multiple pores on MCP performance was studied and is presented.
Using an embedding approach, a 2-D potential energy function has been calculated to describe the physisorption interaction of H{sub 2} with a Cu(100) surface. For this purpose, a cluster model of the system calculated with highly correlated wavefunctions is combined with a periodic Density-Functional-Theory method using van der Waals-DF2 functional. Rotational and vibrational energy levels of physisorbed H{sub 2}, as well as D{sub 2} and HD, are calculated using the 2D embedding corrected potential energy function. The calculated transitions are in a very good agreement with Electron-Energy-Loss-Spectroscopy observations.
Starting from the propagator, we introduced a time-ordered perturbation expansion and employed Wick rotation to obtain a general energy-dependent Green’s function expressions for space-fractional quantum systems with Dirac delta-function perturbation. We then obtained the Green’s functions and equations for the bound state energies for the space-fractional Schrödinger equation with single and double Dirac delta well potentials and the delta-perturbed infinite well.
Analytical expressions describing the variation of electron energy distribution function (EEDF) in an afterglow of a plasma are obtained. Especially, the case when the electron energy loss is mainly due to momentum-transfer electron-neutral collisions is considered. The study is carried out for different EEDFs in the steady state, including Maxwellian and Druyvesteyn distributions. The analytical results are not only obtained for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy but also for the case when the collisions are a power function of electron energy. Using analytical expressions for the EEDF, the effective electron temperature and charge of the dust particles, which are assumed to be present in plasma, are calculated for different afterglow durations. An analytical expression for the rate describing collection of electrons by dust particles for the case when the rate for momentum-transfer electron-neutral collisions is independent on electron energy is also derived. The EEDF profile and, as a result, the effective electron temperature and dust charge are sufficiently different in the cases when the rate for momentum-transfer electron-neutral collisions is independent on electron energy and when the rate is a power function of electron energy.
Electrochemical energy storage is the key enabling component of electric vehicles and solar-/wind-based energy technologies. The enhancement of energy stored requires the detailed understanding of charge storage mechanisms and local electrochemical and electromechanical phenomena over a variety of length scales from atoms to full cells. Classical electrochemical techniques, such as voltammetry, represent the macroscopic electrochemical properties, and consequently do not allow to extract important information about local electrochemical reactions, ions adsorption, intercalations, and transport. Understanding, controlling, and tuning the local electrochemical functionalities in functional energy materials require in situ/operando techniques which limit the use of structural and functional characterization techniques that provide local information. Here, force-based atomic force microscopies (AFMs) have provided novel insights into locally probing electrochemical mechanisms on tens of nanometer and even molecular length scales and provide a viable pathway to probe electrochemical processes in situ/operando. In this review, we highlight the contributions in the development and application of force-based AFM methods to elucidate the local charge storage mechanism in a variety of energy-related materials. We will focus in particular on methods or AFM modalities in a liquid electrolyte environment.
The assessment of the global performance of the state-of-the-art covariant energy density functionals and related theoretical uncertainties in the description of ground state observables has recently been performed. Based on these results, the correlations between global description of binding energies and nuclear matter properties of covariant energy density functionals have been studied in this contribution.
A new anchor-based optimization method of defining energy density functionals (EDFs) is proposed. In this approach, the optimization of the parameters of EDFs is carried out for a selected set of spherical anchor nuclei, the physical observables of which are modified by the correction function, which takes into account the global performance of EDFs. It is shown that the use of this approach leads to a substantial improvement in the global description of binding energies for several classes of covariant EDFs. Here, the computational cost of defining a new functional within this approach is drastically lower as compared with the one for the optimization which includes the global experimental data on spherical, transitional, and deformed nuclei in the fitting protocol.