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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.

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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Tailoring the dipole properties in dielectric polymers to realize high energy density with high breakdown strength and low dielectric loss

High energy density polymer materials are desirable for a broad range of modern power electronic systems. Here, we report the development of a new class of polymer dielectrics based on polyurea and polythiourea, which possess high thermal stability. By increasing the dipole density, the dielectric constant of meta-phenylene polyurea and methylene polythiourea can be increased to 5.7, compared with aromatic polyurea and aromatic polythiourea, which have a dielectric constant in the range of 4.1–4.3. The random dipoles with high dipolar moment and amorphous structure of these polyurea and polythiourea based polymers provide strong scattering to the charge carriers, resulting in low losses even at high electric fields. Consequently, this new class of polymers exhibit a linear dielectric response to the highest field measured (>700 MV/m) with a high breakdown strength, achieving high energy density (>13 J/cm{sup 3}) with high efficiency (>90%)

36 MATERIALS SCIENCE↗
DOE OSTI2015

Nuclear Magnetic Dipole and Electric Quadrupole Moments: Their Measurement and Tabulation as Accessible Data

The most recent tabulations of nuclear magnetic dipole and electric quadrupole moments have been prepared and published by the Nuclear Data Section of the IAEA, Vienna [N. J. Stone, Report No. INDC(NDS)-0650 (2013); Report No. INDC(NDS)-0658 (2014)]. The first of these is a table of recommended quadrupole moments for all isotopes in which all experimental results are made consistent with a limited number of adopted standards for each element; the second is a combined listing of all measurements of both moments. Both tables cover all isotopes and energy levels. In this paper, the considerations relevant to the preparation of both tables are described, together with observations as to the importance and (where appropriate) application of necessary corrections to achieve the “best” values. Some discussion of experimental methods is included with emphasis on their precision. The aim of the published quadrupole moment table is to provide a standard reference in which the value given for each moment is the best available and for which full provenance is given. A table of recommended magnetic dipole moments is in preparation, with the same objective in view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Experimental study of electric dipoles on an oxygen-adsorbed Si(100)-2 × 1 surface by non-contact scanning nonlinear dielectric microscopy

Oxygen-adsorption on a Si(100)-2 × 1 surface is investigated by using non-contact scanning nonlinear dielectric microscopy (NC-SNDM). On the Si(100)-2 × 1 surface exposed to oxygen (O{sub 2}) gas at room temperature, several variations in atomic configuration and electric dipole moment of dimers are observed. Models are proposed for oxygen adsorption which are consistent with the topographies and electric dipole moment distributions obtained by NC-SNDM.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Interacting He and Ar atoms: Revised theoretical interaction potential, dipole moment, and collision-induced absorption spectra

Coupled cluster quantum chemical calculations of the potential energy surface and the induced dipole surface are reported for the He–Ar van der Waals collisional complex. Spectroscopic parameters are derived from global analytical fits while an accurate value for the long-range dipole coefficient D{sub 7} is obtained by perturbation methods. Collision-induced absorption spectra are computed quantum mechanically and compared with existing measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Development of a Bi2212 Dipole Insert at Fermilab

A goal of the U.S. Magnet Development Program (US-MDP) is high-field magnets for accelerators with magnetic fields larger than 15 T, i.e., above the limits of Nb 3 Sn accelerator magnets. Composite round wires and Rutherford cables made of high temperature superconductor Bi2212 may achieve this goal. Bi2212 is sensitive to transverse stresses and strains, and this requires stress management in the coil design. A stress management approach was developed at Fermilab for high-field large-aperture Nb 3 Sn accelerator magnets. Now it is being applied to high-field dipole insert coils based on Bi2212 Rutherford cable. Here this paper describes the insert coil design and main parameters, including the superconducting wire and cable. The coil will be installed inside a 60-mm bore Nb 3 Sn dipole outsert coil and cold iron yoke. The Bi2212 coil will be tested individually and in series with the Nb 3 Sn outsert coil. The expected Bi2212 insert test parameters are reported and discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Rotation of a Spherical Particle with Electrical Dipole Moment Induced by Steady Irradiation in a Static Electric Field

Rotation of a spherical particle in a static electric field and under steady irradiation that induces an electric dipole moment in the particle is studied for the first time. Along with the general treatment of the phenomenon, we analyze possible mechanisms underlying the photoinduction of dipole moment in the particle. Estimations of the angular velocity and the power expended by the rotating particle are provided. The indicated characteristics reach their maximum values if the size of particles is within the range of 10 nm to 10 μm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Electric Field-Driven Water Dipoles: Nanoscale Architecture of Electroporation

Electroporation is the formation of permeabilizing structures in the cell membrane under the influence of an externally imposed electric field. The resulting increased permeability of the membrane enables a wide range of biological applications, including the delivery of normally excluded substances into cells. While electroporation is used extensively in biology, biotechnology, and medicine, its molecular mechanism is not well understood. This lack of knowledge limits the ability to control and fine-tune the process. In this article we propose a novel molecular mechanism for the electroporation of a lipid bilayer based on energetics analysis. Using molecular dynamics simulations we demonstrate that pore formation is driven by the reorganization of the interfacial water molecules. Our energetics analysis and comparisons of simulations with and without the lipid bilayer show that the process of poration is driven by field-induced reorganization of water dipoles at the water-lipid or water-vacuum interfaces into more energetically favorable configurations, with their molecular dipoles oriented in the external field. Although the contributing role of water in electroporation has been noted previously, here we propose that interfacial water molecules are the main players in the process, its initiators and drivers. The role of the lipid layer, to a first-order approximation, is then reduced to a relatively passive barrier. This new view of electroporation simplifies the study of the problem, and opens up new opportunities in both theoretical modeling of the process and experimental research to better control or to use it in new, innovative ways.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Final Report: Levitated Dipole Experiment

Since the very first experiments with the LDX, research progress was rapid and significant. Initial experiments were conducted with the high-field superconducting coil suspended by three thin rods. These experiments produced long-pulse, quasi-steady-state microwave discharges, lasting more than 10 s, having peak beta values of 20% [Garnier et al., Physics of Plasmas, 13 (2006) 056111]. High- beta, near steady-state discharges have been maintained in LDX for more than 20 seconds, and this capability made LDX the longest pulse fusion confinement experiment operating in the U.S. fusion program. A significant measure of progress in the LDX research program was the routine investigation of plasma confinement with a magnetically-levitated dipole and the resulting observations of confinement improvement. In both supported and levitated configurations, detailed measurements were made of discharge evolution, plasma dynamics and instability, and the roles of gas fueling, microwave power deposition profiles, and plasma boundary shape. High-temperature plasma was created by multi frequency electron cyclotron resonance heating at 2.45 GHz, 6.4 GHz, 10.5 GHz and 28 GHz allowing control of heating profiles. Depending upon neutral fueling rates, the LDX discharges contain a fraction of energetic electrons, with mean energies above 50 keV. Depending on whether or not the superconducting dipole was levitated or supported, the peak thermal electron temperature was estimated to exceed 500 eV and peak densities to approach 1e18 m -3 . We have found that levitation causes a strong inwards density pinch [Boxer et al., Nature Physics, 6 (2010) 207] and we have observed the central plasma density increase dramatically indicating a significant improvement in the confinement of a thermal plasma species.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

On Optical Dipole Moment and Radiative Recombination Lifetime of Excitons in WSe 2

Optical dipole moment is the key parameter of optical transitions, as it directly determines the strength of light–matter interaction such as intrinsic radiative lifetime. However, experimental determination of these fundamental properties of excitons in monolayer WSe 2 is largely limited, because the commonly used measurement, such as (time-resolved) photoluminescence, is inherently difficult to probe the intrinsic properties. For example, dark states below bright exciton can change the photoluminescence emission rate by orders of magnitude and gives an “effective” radiative lifetime distinctive from the intrinsic one. On the other hand, such “effective” radiative lifetime becomes important itself because it describes how dark states affect exciton dynamics. Unfortunately, the “effective” radiative lifetime in monolayer WSe 2 is also not determined as it requires photoluminescence measurement with resonant excitation, which is technically difficult. These difficulties are overcome here to obtain both the “intrinsic” and “effective” radiative lifetime experimentally. A framework is developed to determine the dipole moment and “intrinsic” radiative lifetime of delocalized excitons in monolayer WSe 2 from the absorption measurements. In addition, the “effective” radiative lifetime in WSe 2 is obtained through time-resolved photoluminescence and absolute quantum-yield measurement at resonant excitation. These results provide helpful information for fundamental understanding of exciton light–matter interaction in WSe 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2016

Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here we carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.

2D zeolites↗
DOE OSTI2013

Transition dipole moments of the lithium dimer

In addition to knowledge of interatomic adiabatic potential energy curves of diatomic systems, it is essential to know electronic transition dipole moments. They are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping. Here, we present electronic transition dipole moments calculated for 74 allowed transitions between 26 states of Li{sub 2} [P. Jasik, J.E. Sienkiewicz, Chem. Phys. 323 (2006) 563]. In the asymptotic internuclear region our results reasonably agree with previously calculated and measured results.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Classical states of an electric dipole in an external magnetic field: Complete solution for the center of mass and trapped states

We study the classical behavior of an electric dipole in the presence of a uniform magnetic field. Using the Lagrangian formulation, we obtain the equations of motion, whose solutions are represented in terms of Jacobi functions. We also identify two constants of motion, namely, the energy E and a pseudomomentumC{sup →}. We obtain a relation between the constants that allows us to suggest the existence of a type of bound states without turning points, which are called trapped states. These results are consistent with and complementary to previous results. - Highlights: • Bound states without turning points. • Lagrangian Formulation for an electric dipole in a magnetic field. • Motion of the center of mass and trapped states. • Constants of motion: pseudomomentum and energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

On the He–McKellar–Wilkens phase of an electric dipole

The He–McKellar–Wilkens (HMW) phase of an electric dipole moving in a static magnetic field is derived by explicitly considering the interaction between the currents associated with the moving dipole and the magnetic vector potential. Conditions for the observation of the HMW phase in different field configurations are investigated. A practical setup is proposed that provides essentially a radial magnetic field with inverse radial dependence for the observation of the HMW phase with magnetic field alone. Possible magnetic field control of exciton current in an open ring setup is discussed. - Highlights: • Conditions for the observation of the HMW phase in different field configurations are investigated. • A practical setup is proposed that for the observation of the HMW phase with magnetic field alone. • Possible magnetic field control of exciton current in an open ring setup is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Effect of the magnetic dipole interaction on a spin-1 system

We consider a hybrid system composed of a spin-1 triplet coupled to a nuclear spin. We study the effect of the axisymmetric and the quadrupole term of the magnetic dipole interaction between the two electrons forming the triplet on the energy spectrum in a static magnetic field. The energy spectrum obtained by directly diagonalizing the Hamiltonian of the system shows that these two terms not only remove the special crossings that appear in the absence of the magnetic dipole interaction, but also produce new (avoided) crossings by lifting the relevant levels. Specially, the gaps between the avoided crossing levels increase with the strength of the quadrupole term. In order to accurately illustrate these effects, we present the results for the discriminant and von Neumann entropy of one electron interacting with the rest of the whole system. Finally, by numerically solving the time-dependent Schrödinger equations of the system, we discover that the polarization oscillation of electron and nuclear spin is in-phase and the total average longitudinal spin is not conserved at location of avoided crossing, but the two results are opposite beyond that.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

One-loop corrections to light cone wave functions: The dipole picture DIS cross section

We develop methods to perform loop calculations in light cone perturbation theory using a helicity basis, refining the method introduced in our earlier work. In particular this includes implementing a consistent way to contract the four-dimensional tensor structures from the helicity vectors with d-dimensional tensors arising from loop integrals, in a way that can be fully automatized. We demonstrate this explicitly by calculating the one-loop correction to the virtual photon to quark–antiquark dipole light cone wave function. This allows us to calculate the deep inelastic scattering cross section in the dipole formalism to next-to-leading order accuracy. Our results, obtained using the four dimensional helicity scheme, agree with the recent calculation by Beuf using conventional dimensional regularization, confirming the regularization scheme independence of this cross section.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions

In order to carry out a detailed analysis of the molecular static polarizability, which is the response of the molecule to a uniform external electric field, the molecular polarizability was computed in this study using the finite-difference method for 21 small molecules, using density functional theory. Within nine charge population schemes (Lowdin, Mulliken, Becke, Hirshfeld, CM5, Hirshfeld-I, NPA, CHELPG, MK-ESP) in common use, the charge fluctuation contribution is found to dominate the molecular polarizability, with its ratio ranging from 59.9% with the Hirshfeld or CM5 scheme to 96.2% with the Mulliken scheme. The Hirshfeld-I scheme is also used to compute the other contribution to the molecular polarizability coming from the induced atomic dipoles, and the atomic polarizabilities in eight small molecules and water pentamer are found to be highly anisotropic for most atoms. In conclusion, the overall results suggest that (a) more emphasis probably should be placed on the charge fluctuation terms in future polarizable force field development and (b) an anisotropic polarizability might be more suitable than an isotropic one in polarizable force fields based entirely or partially on the induced atomic dipoles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗