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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Spontaneous electromagnetic fluctuations in unmagnetized plasmas. II. Relativistic form factors of aperiodic thermal modes

General expressions for the electromagnetic fluctuation spectra in unmagnetized plasmas are derived using fully relativistic dispersion functions and form factors for the important class of isotropic plasma particle distribution functions including in particular relativistic Maxwellian distributions. In order to obtain fluctuation spectra valid in the entire complex frequency plane, the proper analytical continuations of the unmagnetized form factors and dispersion functions are presented. The results are illustrated for the important special case of isotropic Maxwellian particle distribution functions providing in particular the thermal fluctuations of aperiodic modes. No restriction to the plasma temperature value is made, and the electromagnetic fluctuation spectra of ultrarelativistic thermal plasmas are calculated. The fully relativistic calculations also provide more general results in the limit of nonrelativistic plasma temperatures being valid in the entire complex frequency plane. They complement our earlier results in paper I and III of this series for negative values of the imaginary part of the frequency. A new collective, transverse, damped aperiodic mode with the damping rate γ∝−k{sup −5/3} is discovered in an isotropic thermal electron-proton plasma with nonrelativistic temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Structure factor of model bidisperse ferrofluids with relatively weak interparticle interactions

In the present manuscript we develop a theoretical approach to describe the pair correlation function of bidisperse magnetic dipolar hard- and soft-spheres. We choose bidisperse system as the first step to allow for polydispersity when studying thermodynamics of magnetic fluids. Using diagram technique we calculate the virial expansion of the pair correlation function up to the first order in density and fourth order in the dipolar strength. Even though, the radial distribution functions are extremely sensitive to the steric potential, we show that the behaviour of the isotropic centre-centre structure factor is almost indifferent to the type of the short-range repulsion. We extensively compare our theoretical results to the data of molecular dynamics simulations, which helps us to understand the range of validity of the virial expansion both on density and magnetic dipolar strength. We also investigate the influence of the granulometric composition on the height, width, and position of the structure factor first peak in order to clarify whether it is possible to extract structural information from experimentally measured small angle neutron scattering intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Temperature and donor concentration dependence of the conduction electron Lande g-factor in silicon

Temperature and donor concentration dependence of the conduction electron g-factor in silicon has been investigated both experimentally and theoretically. We performed electron spin resonance experiments on Si samples doped with different densities of phosphorus and lithium. Theoretical consideration is based on the renormalization of the electron energy in a weak magnetic field by the interaction with possible perturbing agents, such as phonons and impurity centers. In the second-order perturbation theory interaction of the electron subsystem with the lattice vibrations as well as ionized donors results in decreasing the conduction electron g-factor, which becomes almost linear function both of temperature and impurity concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Energy transfer between a nanosystem and its host fluid: A multiscale factorization approach

Energy transfer between a macromolecule or supramolecular assembly and a host medium is considered from the perspective of Newton's equations and Lie-Trotter factorization. The development starts by demonstrating that the energy of the molecule evolves slowly relative to the time scale of atomic collisions-vibrations. The energy is envisioned to be a coarse-grained variable that coevolves with the rapidly fluctuating atomistic degrees of freedom. Lie-Trotter factorization is shown to be a natural framework for expressing this coevolution. A mathematical formalism and workflow for efficient multiscale simulation of energy transfer is presented. Lactoferrin and human papilloma virus capsid-like structure are used for validation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

An analytical study on the diffraction quality factor of open cavities

Open cavities are often employed as interaction structures in a new generation of coherent millimeter, sub-millimeter, and terahertz (THz) radiation sources called the gyrotron. One of the open ends of the cavity is intended for rapid extraction of the radiation generated by a powerful electron beam. Up to the sub-THz regime, the diffraction loss from this open end dominates over the Ohmic losses on the walls, which results in a much lower diffraction quality factor (Q{sub d}) than the Ohmic quality factor (Q{sub ohm}). Early analytical studies have led to various expressions for Q{sub d} and shed much light on its properties. In this study, we begin with a review of these studies, and then proceed with the derivation of an analytical expression for Q{sub d} accurate to high order. Its validity is verified with numerical solutions for a step-tunable cavity commonly employed for the development of sub-THz and THz gyrotrons. On the basis of the results, a simplified equation is obtained which explicitly expresses the scaling laws of Q{sub d} with respect to mode indices and cavity dimensions.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Surface engineering of the quality factor of metal coated microcantilevers

We performed noise measurements to obtain the quality factor (Q) and frequency shift of gold coated microcantilevers before and after surface modification using focused ion beam. As a result of our studies, it is demonstrated that surface engineering offers a promising method to control and increase the Q factor up to 50% for operation in vacuum. Surface modification could also lead to deviations from the known Q ∼ P{sup −1} behavior at low vacuum pressures P within the molecular regime. Finally, at higher pressures within the continuum regime, where Q is less sensitive to surface changes, a power scaling Q ∼ P{sup c} with c ≈ 0.3 was found instead of c = 0.5. The latter is explained via a semi-empirical formulation to account for continuum dissipation mechanisms at significant Reynolds numbers Re ∼ 1.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Perturbations in vibrational diatomic spectra: Factorization of the molecular wave function

The coupling between two electronic states of a diatomic molecule may lead to an erratic behaviour of the associated vibrational energies. An example is the homogeneous coupling between the valence b′ state and the Rydberg c′ state of the N{sub 2} molecule, both of symmetry {sup 1}Σ{sub u}{sup +}. The standard treatment of such a situation is to write the wave function as a sum of two Born-Oppenheimer products. It has recently been argued [L. S. Cederbaum, J. Chem. Phys. 138, 224110 (2013); N. I. Gidopoulos and E. K. U. Gross, Philos. Trans. R. Soc., A 372, 20130059 (2014)] that even in such a case the wave function should be representable as a single product, with an electronic factor depending parametrically on nuclear positions and a nuclear factor. We setup such a representation in the case of the perturbations in the N{sub 2} molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

One-dimensional behavior and high thermoelectric power factor in thin indium arsenide nanowires

Electrical conductivity and Seebeck coefficient of quasi-one-dimensional indium arsenide (InAs) nanowires with 20 nm diameter are investigated. The carrier concentration of the passivated nanowires was modulated by a gate electrode. A thermoelectric power factor of 1.7 × 10{sup −3} W/m K{sup 2} was measured at room temperature. This value is at least as high as in bulk-InAs and exceeds by far typical values of thicker InAs nanowires with three-dimensional properties. The interpretation of the experimental results in terms of power-factor enhancement by one-dimensionality is supported by model calculations using the Boltzmann transport formalism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Enhanced power factor and high-pressure effects in (Bi,Sb){sub 2}(Te,Se){sub 3} thermoelectrics

We investigated the effects of applied high pressure on thermoelectric, electric, structural, and optical properties of single-crystalline thermoelectrics, Bi{sub 2}Te{sub 3}, Bi{sub x}Sb{sub 2−x}Te{sub 3} (x = 0.4, 0.5, 0.6), and Bi{sub 2}Te{sub 2.73}Se{sub 0.27} with the high thermoelectric performance. We established that moderate pressure of about 2–4 GPa can greatly enhance the thermoelectric power factor of all of them. X-ray diffraction and Raman studies on Bi{sub 2}Te{sub 3} and Bi{sub 0.5}Sb{sub 1.5}Te{sub 3} found anomalies at similar pressures, indicating a link between crystal structure deformation and physical properties. We speculate about possible mechanisms of the power factor enhancement and suppose that pressure/stress tuning can be an effective tool for the optimization of the thermoelectric performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Theory of Bound-Electron g Factor in Highly Charged Ions

The paper presents the current status of the theory of bound-electron g factor in highly charged ions. The calculations of the relativistic, quantum electrodynamics (QED), nuclear recoil, nuclear structure, and interelectronic-interaction corrections to the g factor are reviewed. Special attention is paid to tests of QED effects at strong coupling regime and determinations of the fundamental constants.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function

The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new formalism offers an exact starting point to include correction terms to the Born-Oppenheimer (BO) form of the molecular wave function, similar to the complete-adiabatic approximation. The corrections depend on a small parameter that, in a classical treatment of the nuclei, is identified as the nuclear velocity. Apart from proposing a rigorous basis for the NVPT, we show that the rotational strengths, related to the intensity of the VCD signal, contain a new contribution beyond-BO that can be evaluated with the NVPT and that only arises when the exact factorization approach is employed. Numerical results are presented for chiral and non-chiral systems to test the validity of the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The g-factor of quasi-two-dimensional electrons in InAs/InGaAs/InAlAs inserted-channels

We have measured the Landau-level spin-splitting of two-dimensional electrons in the composite InAs/InGaAs channels of two InAs/InGaAs/InAlAs heterostructures with different alloy compositions by magnetotransport and THz magneto-photoconductivity in magnetic fields up to 10 T. The structures differ importantly in the mobility of the channel, the electron density and the composition of the barriers. The magnitudes of the experimental g-factors for B along the quantization axis and their anisotropies are larger by at least a factor of 2 than the corresponding calculated single particle values. The angular dependence of many-body exchange contributions and the effects of broadening of Landau–level densities of states are necessary for understanding this behaviour. We find evidence for a marked decrease of the exchange contribution at low perpendicular magnetic fields in the higher mobility sample from coincidence measurements, but no indications of such behaviour in the lower mobility sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High quality factor indium oxide mechanical microresonators

The mechanical resonance behavior of as-grown In{sub 2}O{sub 3} microrods has been studied in this work by in-situ scanning electron microscopy (SEM) electrically induced mechanical oscillations. Indium oxide microrods grown by a vapor–solid method are naturally clamped to an aluminum oxide ceramic substrate, showing a high quality factor due to reduced energy losses during mechanical vibrations. Quality factors of more than 10{sup 5} and minimum detectable forces of the order of 10{sup −16} N/Hz{sup 1/2} demonstrate their potential as mechanical microresonators for real applications. Measurements at low-vacuum using the SEM environmental operation mode were performed to study the effect of extrinsic damping on the resonators behavior. The damping coefficient has been determined as a function of pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Parallel database search and prime factorization with magnonic holographic memory devices

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coherent dynamic structure factors of strongly coupled plasmas: A generalized hydrodynamic approach

A generalized hydrodynamic fluctuation model is proposed to simplify the calculation of the dynamic structure factor S(ω, k) of non-ideal plasmas using the fluctuation-dissipation theorem. In this model, the kinetic and correlation effects are both included in hydrodynamic coefficients, which are considered as functions of the coupling strength (Γ) and collision parameter (kλ{sub ei}), where λ{sub ei} is the electron-ion mean free path. A particle-particle particle-mesh molecular dynamics simulation code is also developed to simulate the dynamic structure factors, which are used to benchmark the calculation of our model. A good agreement between the two different approaches confirms the reliability of our model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The adiabatic limit of the exact factorization of the electron-nuclear wave function

We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic limit as the limit of infinite nuclear mass. To this end, we introduce a unit system that singles out the dependence on the electron-nuclear mass ratio of each term appearing in the equations of the exact factorization. We observe how non-adiabatic effects induced by the coupling to the nuclear motion affect electronic properties and we analyze the leading term, connecting it to the classical nuclear momentum. Its dependence on the mass ratio is tested numerically on a model of proton-coupled electron transfer in different non-adiabatic regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Measurements of the spin-orbit interaction and Landé g factor in a pure-phase InAs nanowire double quantum dot in the Pauli spin-blockade regime

We demonstrate direct measurements of the spin-orbit interaction and Landé g factors in a semiconductor nanowire double quantum dot. The device is made from a single-crystal pure-phase InAs nanowire on top of an array of finger gates on a Si/SiO{sub 2} substrate and the measurements are performed in the Pauli spin-blockade regime. It is found that the double quantum dot exhibits a large singlet-triplet energy splitting of Δ{sub ST} ∼ 2.3 meV, a strong spin-orbit interaction of Δ{sub SO} ∼ 140 μeV, and a large and strongly level-dependent Landé g factor of ∼12.5. These results imply that single-crystal pure-phase InAs nanowires are desired semiconductor nanostructures for applications in quantum information technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Structural basis for antagonizing a host restriction factor by C7 family of poxvirus host-range proteins

Human sterile alpha motif domain-containing 9 (SAMD9) protein is a host restriction factor for poxviruses, but it can be overcome by some poxvirus host-range proteins that share homology with vaccinia virus C7 protein. To understand the mechanism of action for this important family of host-range factors, we determined the crystal structures of C7 and myxoma virus M64, a C7 family member that is unable to antagonize SAMD9. Despite their different functions and only 23% sequence identity, the two proteins have very similar overall structures, displaying a previously unidentified fold comprised of a compact 12-stranded antiparallel β-sandwich wrapped in two short α helices. Extensive structure-guided mutagenesis of C7 identified three loops clustered on one edge of the β sandwich as critical for viral replication and binding with SAMD9. Here, the loops are characterized with functionally important negatively charged, positively charged, and hydrophobic residues, respectively, together forming a unique “three-fingered molecular claw.” The key residues of the claw are not conserved in two C7 family members that do not antagonize SAMD9 but are conserved in distantly related C7 family members from four poxvirus genera that infect diverse mammalian species. Indeed, we found that all in the latter group of proteins bind SAMD9. Taken together, our data indicate that diverse mammalian poxviruses use a conserved molecular claw in a C7-like protein to target SAMD9 and overcome host restriction.

59 BASIC BIOLOGICAL SCIENCES↗