Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “ELECTRONICS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The effect of electron-electron interaction induced dephasing on electronic transport in graphene nanoribbons

The effect of dephasing induced by electron-electron interaction on electronic transport in graphene nanoribbons is theoretically investigated. In the presence of disorder in graphene nanoribbons, wavefunction of electrons can set up standing waves along the channel and the conductance exponentially decreases with the ribbon's length. Employing the non-equilibrium Green's function formalism along with an accurate model for describing the dephasing induced by electron-electron interaction, we show that this kind of interaction prevents localization and transport of electrons remains in the diffusive regime where the conductance is inversely proportional to the ribbon's length.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide

Here we report angle-resolved photoemission spectroscopic measurements of the evolution of the thickness-dependent electronic band structure of the atomically heavy two-dimensional layered dichalcogenide, tungsten diselenide ( WS e 2 ) . Our data, taken on mechanically exfoliated WS e 2 single crystals, provide direct evidence for shifting of the valence-band maximum from Γ ¯ (multilayer WS e 2 ) to K ¯ (single-layer WS e 2 ). Further, our measurements also set a lower bound on the energy of the direct band gap and provide direct measurement of the hole effective mass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number

Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Electron-beam energy reconstruction for neutrino oscillation measurements

Neutrinos exist in one of three types or ‘flavours’—electron, muon and tau neutrinos—and oscillate from one flavour to another when propagating through space. This phenomena is one of the few that cannot be described using the standard model of particle physics (reviewed in ref. 1), and so its experimental study can provide new insight into the nature of our Universe (reviewed in ref. 2). Neutrinos oscillate as a function of their propagation distance (L) divided by their energy (E). Therefore, experiments extract oscillation parameters by measuring their energy distribution at different locations. As accelerator-based oscillation experiments cannot directly measure E, the interpretation of these experiments relies heavily on phenomenological models of neutrino–nucleus interactions to infer E. Here we exploit the similarity of electron–nucleus and neutrino–nucleus interactions, and use electron scattering data with known beam energies to test energy reconstruction methods and interaction models. We find that even in simple interactions where no pions are detected, only a small fraction of events reconstruct to the correct incident energy. More importantly, widely used interaction models reproduce the reconstructed energy distribution only qualitatively and the quality of the reproduction varies strongly with beam energy. This shows both the need and the pathway to improve current models to meet the requirements of next-generation, high-precision experiments such as Hyper-Kamiokande (Japan) and DUNE (USA).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Electronic spectra from TDDFT and machine learning in chemical space

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Nematic antiferromagnetism and deconfined criticality from the interplay between electron-phonon and electron-electron interactions

Systems with strong electron-phonon couplings typically exhibit various forms of charge order, while strong electron-electron interactions lead to magnetism. In this work, we use determinant quantum Monte Carlo calculations to solve a model on a square lattice with a caricature of these interactions. In the limit where electron-electron interactions dominate it has antiferromagnetic order, while where electron-phonon coupling dominates there is columnar valence-bond-solid (VBS) order. We find an intervening phase that hosts coexisting nematic and antiferromagnetic orders. We have also found evidence of a Landau-forbidden continuous quantum phase transition with an emergent O(4) symmetry between the VBS and the nematic antiferromagnetic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The Majorana low-noise low-background front-end electronics

The Majorana Demonstrator will search for the neutrinoless double beta decay (ββ(0ν)) of the isotope ⁷⁶Ge with a mixed array of enriched and natural germanium detectors. In view of the next generation of tonne-scale germanium-based ββ(0ν)-decay searches, a major goal of the Majorana Demonstrator is to demonstrate a path forward to achieving a background rate at or below 1 cnt/(ROI-t-y) in the 4 keV region of interest (ROI) around the 2039-keV Q-value of the ⁷⁶Ge ββ(0ν)-decay. Such a requirement on the background level significantly constrains the design of the readout electronics, which is further driven by noise and energy resolution performances. We present here the low-noise low-background front-end electronics developed for the low-capacitance p-type point contact (P-PC) germanium detectors of the Majorana Demonstrator. This resistive-feedback front-end, specifically designed to have low mass, is fabricated on a radioassayed fused-silica substrate where the feedback resistor consists of a sputtered thin film of high purity amorphous germanium and the feedback capacitor is based on the capacitance between gold conductive traces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations

Machine learning (ML) approximations to density functional theory (DFT) potential energy surfaces (PESs) are showing great promise for reducing the computational cost of accurate molecular simulations, but at present, they are not applicable to varying electronic states, and in particular, they are not well suited for molecular systems in which the local electronic structure is sensitive to the medium to long-range electronic environment. With this issue as the focal point, we present a new machine learning approach called "BpopNN" for obtaining efficient approximations to DFT PESs. Conceptually, the methodology is based on approaching the true DFT energy as a function of electron populations on atoms; in practice, this is realized with available density functionals and constrained DFT (CDFT). Additionally, the new approach creates approximations to this function with neural networks. These approximations thereby incorporate electronic information naturally into a ML approach, and optimizing the model energy with respect to populations allows the electronic terms to self-consistently adapt to the environment, as in DFT. We confirm the effectiveness of this approach with a variety of calculations on LinHn clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Electron-electron correlation in two-photon double ionization of He-like ions [Counterintuitive electron correlation in two-photon double ionization of He-like ions]

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding, strong-field–induced multi-electron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photo-induced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions [Li + , Be 2+ , and C 4+ ] exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra as the ionic charge increases, which is counterintuitive to the belief that the strongly correlated ground state and the strong Coulomb field of He-like ions should lead to more equal-energy sharing in photoionization. Lastly, these findings indicate that the final-state electron–electron correlation ultimately determines their energy sharing in TPDI.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Specific Heat of Ba 0.59 K 0.41 Fe 2 As 2 , an Fe-Pnictide Superconductor with T c = 36.9 K, and a New Method for Identifying the Electron Contribution [Specific Heat of Ba 0.59 K 0.41 Fe 2 As 2 , and a New Method for Identifying the Electron Contribution: Two Electron Bands with Different Energy Gaps in the Superconducting State]

Here, we report specific-heat measurements on Ba 0.59 K 0.41 Fe 2 As 2 , one of a family of high-T c Fe-pnictide superconductors for which the pairing interaction is of special interest. We use a new method, based on direct comparisons of α-model expressions for the electron contribution with the measured total specific heat, to extract the electron contribution. It circumvents the need in the conventional analyses for an independent, necessarily approximate, determination of the lattice contribution, which is subtracted from the total to obtain the electron contribution, and it eliminates the consequent uncertainties in the electron contribution. For Ba 0.59 K 0.41 Fe 2 As 2 the electron density of states is comprised of contributions from two electron bands with superconducting-state energy gaps differing by a factor 3.8, with 77% coming from the band with the larger gap. The vortex-state specific heat suggests nodeless gaps. Comparison of the normal-state density of states with band-structure calculations shows an extraordinarily large effective mass enhancement, for which there is no precedent in simple metals and no theoretical explanation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Electron acoustic solitary waves in a magnetized plasma with nonthermal electrons and an electron beam

A theoretical investigation is carried out to study the obliquely propagating electron acoustic solitary waves having nonthermal hot electrons, cold and beam electrons, and ions in a magnetized plasma. We have employed reductive perturbation theory to derive the Korteweg-de-Vries-Zakharov-Kuznetsov (KdV-ZK) equation describing the nonlinear evolution of these waves. The two-dimensional plane wave solution of KdV-ZK equation is analyzed to study the effects of nonthermal and beam electrons on the characteristics of the solitons. Theoretical results predict negative potential solitary structures. We emphasize that the inclusion of finite temperature effects reduces the soliton amplitudes and the width of the solitons increases by an increase in the obliquity of the wave propagation. The numerical analysis is presented for the parameters corresponding to the observations of “burst a” event by Viking satellite on the auroral field lines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Electron-electron scattering-induced channel hot electron injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors with high-k/metal gate stacks

This work investigates electron-electron scattering (EES)-induced channel hot electron (CHE) injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors (n-MOSFETs) with high-k/metal gate stacks. Many groups have proposed new models (i.e., single-particle and multiple-particle process) to well explain the hot carrier degradation in nanoscale devices and all mechanisms focused on Si-H bond dissociation at the Si/SiO{sub 2} interface. However, for high-k dielectric devices, experiment results show that the channel hot carrier trapping in the pre-existing high-k bulk defects is the main degradation mechanism. Therefore, we propose a model of EES-induced CHE injection to illustrate the trapping-dominant mechanism in nanoscale n-MOSFETs with high-k/metal gate stacks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗