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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ionic liquid gating on atomic layer deposition passivated GaN: Ultra-high electron density induced high drain current and low contact resistance

Herein, we report on achieving ultra-high electron density (exceeding 10{sup 14 }cm{sup −2}) in a GaN bulk material device by ionic liquid gating, through the application of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} to passivate the GaN surface. Output characteristics demonstrate a maximum drain current of 1.47 A/mm, the highest reported among all bulk GaN field-effect transistors, with an on/off ratio of 10{sup 5} at room temperature. An ultra-high electron density exceeding 10{sup 14 }cm{sup −2} accumulated at the surface is confirmed via Hall-effect measurement and transfer length measurement. In addition to the ultra-high electron density, we also observe a reduction of the contact resistance due to the narrowing of the Schottky barrier width on the contacts. Taking advantage of the ALD surface passivation and ionic liquid gating technique, this work provides a route to study the field-effect and carrier transport properties of conventional semiconductors in unprecedented ultra-high charge density regions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Particle-in-cell simulation study of the scaling of asymmetric magnetic reconnection with in-plane flow shear

We investigate magnetic reconnection in systems simultaneously containing asymmetric (anti-parallel) magnetic fields, asymmetric plasma densities and temperatures, and arbitrary in-plane bulk flow of plasma in the upstream regions. Such configurations are common in the high-latitudes of Earth's magnetopause and in tokamaks. We investigate the convection speed of the X-line, the scaling of the reconnection rate, and the condition for which the flow suppresses reconnection as a function of upstream flow speeds. We use two-dimensional particle-in-cell simulations to capture the mixing of plasma in the outflow regions better than is possible in fluid modeling. We perform simulations with asymmetric magnetic fields, simulations with asymmetric densities, and simulations with magnetopause-like parameters where both are asymmetric. For flow speeds below the predicted cutoff velocity, we find good scaling agreement with the theory presented in Doss et al. [J. Geophys. Res. 120, 7748 (2015)]. Applications to planetary magnetospheres, tokamaks, and the solar wind are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Group Conductivity and Nonadiabatic Born Effective Charges of Disordered Metals, Warm Dense Matter, and Hot Dense Plasma

The average ionization state is a critical parameter in plasma models for charged particle transport, equations of state, and optical response. The dynamical or nonadiabatic Born effective charge (NBEC), calculated via first principles time-dependent density-functional theory, provides exact ionic partitioning of bulk electron response for both metallic and insulating materials. The NBEC can be transformed into a “group conductivity,” i.e., the electron conductivity ascribed to a subset of ions. We show that for disordered metallic systems, such as warm dense matter (WDM) and hot dense plasma, the static limit of the NBEC is different from the average ionization states, but that the ionization state can be extracted from the group conductivity even in mixed systems. Here we demonstrate this approach using a set of archetypical examples, including cold and warm aluminium, low- and high-density WDM carbon, and a WDM carbon-beryllium-hydrogen mixture.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

First-principles study of the stability and migration of Kr, I and Xe in ZrO2

The stability and migration of Kr, I and Xe in bulk ZrO2 and on the ZrO2 (1 1 1) surface have been studied by standard density functional theory (DFT) and the DFT-D2 method that corrects for the van der Waals interaction. Both methods show that Kr and Xe prefer to incorporate in the bulk phase rather than adsorb on the surface, and Xe is very mobile in the bulk state. For Kr and Xe adsorption on the surface, van der Waals interaction dominates, causing the weak interaction between the adsorbate and substrate. Iodine is found to have comparable stability in both phases and forms I O bonds with strong covalency. It exhibits higher mobility on the surface than in the bulk ZrO2, and diffusion from bulk-like state to surface state is an exothermic process. The fission product behavior in ZrO2 is shown to be a complicated synergetic effect of fission product atomic size, electron negativity, occupation site and phase structure of the host.

Xiao, Haiyan↗
DOE OSTI2019

Enhanced Magnetic Levitation and Guidance Force in MgB{sub 2} Bulks by Synthetic Engine Oil Immersion

We have used ‘Synthetic engine oil’ as a rich easily accessible carbon source and investigated the effect of engine oil on the microstructure, critical current density (J{sub c}), vertical levitation force (F{sub z}) and guidance force (F{sub x}) properties of MgB{sub 2} superconductor. The polycrystalline disk-shaped MgB{sub 2} bulk samples have been prepared using two-step solid-state reaction process. After the first heating process, MgB{sub 2} bulk samples immersed in the engine oil for different durations (30, 120, 300 and 1440 min). XRD analysis indicated the decreasing of lattice parameters of samples and confirmed C substitution in boron sites. Vertical levitation and guidance force measurements were carried out with both Field-cooling (FC) and zero-field-cooling (ZFC) regimes at different temperatures of 20, 24 and 28 K. It was found that engine oil addition slightly increases the levitation and guidance force properties. The F{sub z} values were obtained as 11.17 and 11.58 N for pure and MgB{sub 2} sample immersed for 30 min at 20 K in ZFC regime. In addition, the MgB{sub 2} sample immersed for 300 min in engine oil showed the highest J{sub c} value of 5.3×10{sup 4} A cm{sup − 2} at 15 K and self-field and showed the highest guidance force value of 4.14 N at 20 K. These finding suggest that synthetic engine oil is a cost-effective and promising method to improve the levitation and guidance force performance as well as the critical current density of MgB{sub 2} bulk superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Comment on “Boson Peak in Deeply Cooled Confined Water: A Possible Way to Explore the Existence of the Liquid-to-Liquid Transition in Water”

In their Letter, Wang et al. report on an inelastic neutron scattering (INS) experiment where they describe the pressure evolution of a low energy (E ~ 6 meV) excitation, emerging in confined protonated water only below 230 K at an exchanged momentum Q=2.0 Å -1 . Also, water confinement was used to overcome the unavoidable crystallization occurring below ~250 K in bulk water. The authors report that a similar finding was also obtained in both bulk (numerical simulations) and confined water at ambient pressure. They refer to this low temperature excitation as a boson peak (BP), and relate its occurrence to the Widom line, concluding that the observed pressure behavior of the BP reveals the signature of the high-density liquid (HDL) to the low-density liquid (LDL) transition proposed, though severely questioned, for bulk water. Lastly, we believe these claims to be unconvincing for the following reasons.

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

In Situ TEM Microcompression Pillar Size Effects in Fe-9Cr ODS

The objective of this paper is to ascertain the existence of a specimen size threshold, below which the material no longer exhibits bulk mechanical behavior when tested using in situ transmission electron microscopic (TEM) micro-compression pillars. In this work, sub-micron sized pillars of a model Fe-9Cr oxide dispersion strengthened (ODS) alloy were compressed in TEM in situ at room temperature, and attempts have been made to quantify the resulting data. Results are compared to mechanical property values in the archival literature, and a discussion on the validity of quantitative in situ TEM micro-compression data for ODS steel is included. In situ TEM mechanical testing is a relatively new technique enabling concurrent TEM imaging and mechanical testing of sub-micron-sized electron-transparent specimens. Due to limited sample volume of many nuclear materials, in situ TEM mechanical testing holds great promise for advancing our understanding of deformation phenomena. But it is well known that the dramatically reduced specimen size required for in situ testing can affect quantitative and qualitative deformation behaviors. However, Kiener, et al. used in situ TEM micro-compression pillars on irradiated and unirradiated single-crystal copper. They observed size independence in the irradiated material, while the unnirradiated material displayed a size threshold below which the mechanical properties deviated from those of bulk Cu. They assert that the more densely-spaced obstacles in irradiated Cu allow it to display bulk properties even in specimens having ∼ 100 nm dimensions. Similar to Kiener's findings, we hypothesize that unirradiated ODS will demonstrate a size threshold, but the in situ TEM micro-compression technique can be extended from single crystal materials to engineering alloys. An Fe-9Cr model ODS alloy was chosen for this study because of the broad interest in ODS for advanced nuclear reactors. ODS alloys exhibit high irradiation tolerance and high temperature creep resistance. New insight into deformation processes gained through in situ TEM mechanical testing could be valuable for the validation of ODS alloys for next generation nuclear reactors. The fact that the compressive yield stress and elastic modulus do not follow distinct trends as a function of specimen size is likely due to the high density of obstacles to dislocation motion. The ODS microstructure contains such obstacles as oxide nanoparticles, a fine grain structure, a high density of dislocation lines, and carbide precipitates. Since the deformation behavior is governed by the minimum separation distance between obstacles [1], it is plausible that the high obstacle density enables ODS alloy micropillars to exhibit bulk-like mechanical properties even prior to irradiation. Future work will focus on: (1) developing finite element models to help explain the difference in elastic moduli between bulk and micropillar tests, (2) understanding the spread in yield stress measurements at fixed micropillar volumes, and (3) extending this study to irradiated ODS. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2024

Status of h-BN quasi-bulk crystals and high efficiency neutron detectors

III-nitrides have fomented a revolution in the lighting industry and are poised to make a huge impact in the field of power electronics. In the III-nitride family, the crystal growth and use of hexagonal BN (h-BN) as an ultrawide bandgap (UWBG) semiconductor are much less developed. Bulk crystals of h-BN produced by the high-temperature/high-pressure and the metal flux solution methods possess very high crystalline and optical qualities but are impractical to serve as substrates or for device implementation as their sizes are typically in millimeters. The development of crystal growth technologies for producing thick epitaxial films (or quasi-bulk or semi-bulk crystals) in large wafer sizes with high crystalline quality is a prerequisite for utilizing h-BN as an UWBG electronic material. Compared to traditional III-nitrides, BN has another unique application as solid-state neutron detectors, which however, also require the development of quasi-bulk crystals to provide high detection efficiencies because the theoretical efficiency (ηi) relates to the detector thickness (d) by ηi=1−e−dλ, where λ denotes the thermal neutron absorption length which is 47 μm (237 μm) for 10B-enriched (natural) h-BN. We provide an overview and recent progress toward the development of h-BN quasi-bulk crystals via hydride vapor phase epitaxy (HVPE) growth and the attainment of thermal neutron detectors based on 100 μm thick 10B-enriched h-BN with a record efficiency of 60%. The thermal neutron detection efficiency was shown to enhance at elevated temperatures. Benchmarking the crystalline and optical qualities of h-BN quasi-bulk crystals with the state-of-the-art mm-sized bulk crystal flakes and 0.5 μm thick epitaxial films identified that reducing the density of native defects such as vacancies remains the most critical task for h-BN quasi-bulk crystal growth by HVPE.

Physics↗
NASA NTRS1988

Fundamental problem in computing radiating flow fields with thick shock waves

Possible reasons for the failure of the Navier-Stokes equations to yield realistic profiles of the temperature and density through the structure of a hypersonic shock wave are investigated. Models for bulk viscosity in a monatomic gas are examined which yield a realistic thickness for the shock-wave density profile, but not the temperature profile, and hence are not satisfactory. A tentative computational model for nitrogen is explored which yields considerably more realistic results than the Navier-Stokes equations. This model involves a nonlinear stress-strain tensor, nonlinear heat flux vector, and nonequilibrium rotational energy.

Chapman, Dean R.↗
DOE OSTI2012

On the mechanism of electromagnetic microwave absorption in superfluid helium

In experiments on electromagnetic (EM) wave absorption in the microwave range in superfluid (SF) helium [1-3], a narrow EM field absorption line with a width on the order of (20-200) kHz was observed against the background of a wide absorption band with a width of 30-40 GHz at frequencies f{sub 0} Almost-Equal-To 110-180 GHz corresponding to the roton gap energy {Delta}{sub r}(T) in the temperature range 1.4-2.2 K. Using the so-called flexoelectric mechanism of polarization of helium atoms ({sup 4}He) in the presence of density gradients in SF helium (HeII), we show that nonresonance microwave absorption in the frequency range 170-200 GHz can be due to the existence of time-varying local density gradients produced by roton excitations in the bulk HeII. The absorption bandwidth is determined by the roton-roton scattering time in an equilibrium Boltzmann gas of rotons, which is t{sub r-r} Almost-Equal-To 3.4 Multiplication-Sign 10{sup -11} s at T = 1.4 K and decreases upon heating. We propose that the anomalously narrow microwave resonance absorption line in HeII at the roton frequency f{sub 0}(T) = {Delta}r(T)/2{pi}h appears due to the following two factors: (i) the discrete structure of the spectrum of the surface EM resonator modes in the form of a periodic sequence of narrow peaks and (ii) the presence of a stationary dipole layer in HeII near the resonator surface, which forms due to polarization of {sup 4}He atoms under the action of the density gradient associated with the vanishing of the density of the SF component at the solid wall. For this reason, the relaxation of nonequilibrium rotons generated in such a surface dipole layer is strongly suppressed, and the shape and width of the microwave resonance absorption line are determined by the roton density of states, which has a sharp peak at the edge of the roton gap in the case of weak dissipation. The effective dipole moments of rotons in the dipole layer can be directed either along or across the normal to the resonator surface, which explains the experimentally observed symmetric doublet splitting of the resonance absorption line in an external dc electric field perpendicular to the resonator surface. We show that negative absorption (induced emission) of EM field quanta observed after triggering a Kapitza 'heat gun' occurs when the occupation numbers for roton states due to 'pumping' of rotons exceed the occupation numbers of EM field photons in the resonator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Studies on optical properties of Si220 nanoclusters via time-dependent density functional theory calculations

The optical properties of bare and hydrogen passivated Si220 nanoclusters(NCs) in four typical motifs(i.e., bulk-like, onion-like, bucky-diamond and icosahedral motifs) were studied via time-dependent density functional theory(TD-DFT) calculations. The calculation results show that there is a significant blue shift in the optical absorption spectra when the Si NCs are passivated with hydrogen. A strong absorption peak in the visible light region appears for the hydrogenated bulk-like, onion-like and bucky-diamond Si NCs.

Yang, Wenhua↗
DOE OSTI2024

Quantitative radiography for determining density fluctuations in HED experiments

We have developed a method to extract density fluctuation measurements from x-ray radiographs of high-energy density (HED) instability growth and turbulence experiments. We use this information to calculate density fluctuation statistics for constraining the performance of turbulent mix models in HED systems. The density calculation combines image filtering, removal of systemic effects such as backlighter variation, calculation of transmission across multiple materials, and use of tracer materials to generate an approximate single-material density field. From the density map, we calculate both average density and a variance-like moment b (density-specific-volume covariance), which we compare to our models. We infer both quantities from a single image, which is significantly more information than the historic single scalar mix width measurements. We also develop a method of analyzing simulation outputs that incorporate both the density fluctuation metric from a turbulence model and the bulk material maps from the hydrodynamic code. This analysis helps address the question of how to initialize the simulations for best comparison to data from systems with large separations of scale in the mixing perturbation initial condition. We find that our data analysis method yields 1D average density and b curves with similar morphology and amplitudes as those from preliminary simulation comparisons.

47 OTHER INSTRUMENTATION↗
DOE OSTI2012

Focus on superconductivity in Fe-based systems

The past four years of incredibly intense research into Fe-based superconductors have brought about many unexpected surprises. Our understanding of their behavior and physical properties is constantly evolving. Unlike any other superconductors, those containing iron span diverse groups of materials: pnictides, chalcogenides, intermetallics and oxides. Some major properties of the materials are quite similar, yet each group has its own distinct features. Significant effort has been put into identifying new superconducting compositions, modifying the existing ones with new dopants and treatments, and producing single crystals, thin films, wires and polycrystalline bulk material. A wide array of experimental techniques was applied to study Fe-based superconductors and the result is a tremendous amount of data collected over a period of less than four years. Theoretical debates are still lively, and there is an ongoing search for possible universalities and commonalities with other unconventional superconductors, like high-Tc cuprates or heavy fermion materials. The three-dimensional electronic structures of Fe-based superconductors, as well as their extreme sensitivity to disorder, present serious challenges for both theoretical analysis and the interpretation of experiments. However, some key properties emerge from multiple studies. Unconventional, multiband superconductivity originating from an electronic mechanism has found both experimental and theoretical support. There has been great progress in the understanding of various anisotropies of superconducting gap structures, including the possibility of gap nodes even if the gap symmetry is s-wave. Similar to high-Tc cuprates, the superconducting phase has a dome-like shape on T-doping or T-pressure phase diagrams. The anisotropy of the superconducting gap evolves with doping and is likely to become stronger at the dome';s edge. In many Fe-based superconductors there is a range where superconductivity coexists and competes with long-range magnetic order, and magnetic fluctuations are considered by some to be of the utmost importance for the pairing mechanism. Others argue that orbital fluctuations, possibly in combination with phonons, are crucial for the pairing. Fe-based superconductors show extremely large upper critical fields and relatively low electronic anisotropy, which are crucial aspects for power applications. The expectations are high, though it remains unclear what maximal current densities can be supported by a properly designed bulk material with optimal pinning centers. This focus issue of Superconductor Science and Technology is a snapshot of some of the recent progress in materials preparation, experiments and theory. It includes articles on the search for new Fe-based superconductors and on the search for superconductivity at extreme conditions. Particular attention is devoted to: the effects of chemical substitutions; the development of thin films; the introduction of artificial defects to increase critical current density; and a general analysis of vortex physics. The articles on fundamental aspects of superconductivity include: the discussion of various experimental problems; an in-depth analysis of the nodal and nodeless pairing states; the discussion of the pairing mechanism; and the effects of pair-breaking due to disorder. Also discussed are nematic correlations and the coexistence of magnetism and superconductivity. The papers collected in this issue present a detailed review of the accomplishments of the last four years of research into Fe-based superconductors, up to and including last-minute developments. We hope that this combination will make this special section of Superconductor Science and Technology both interesting and useful to a broad spectrum of physicists and materials scientists.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Smectic pair-density-wave order in EuRbFe 4 As 4

The pair density wave (PDW) is a superconducting state in which Cooper pairs carry centre-of-mass momentum in equilibrium, leading to the breaking of translational symmetry. Experimental evidence for such a state exists in high magnetic field and in some materials that feature density-wave orders that explicitly break translational symmetry. However, evidence for a zero-field PDW state that exists independent of other spatially ordered states has so far been elusive. Here we show that such a state exists in the iron pnictide superconductor EuRbFe 4 As 4 , a material that features co-existing superconductivity (superconducting transition temperature ( T c ) ≈ 37 kelvin) and magnetism (magnetic transition temperature ( T m ) ≈ 15 kelvin). Using spectroscopic imaging scanning tunnelling microscopy (SI-STM) measurements, we show that the superconducting gap at low temperature has long-range, unidirectional spatial modulations with an incommensurate period of about eight unit cells. Upon increasing the temperature above Tm, the modulated superconductor disappears, but a uniform superconducting gap survives to T c . When an external magnetic field is applied, gap modulations disappear inside the vortex halo. The SI-STM and bulk measurements show the absence of other density-wave orders, indicating that the PDW state is a primary, zero-field superconducting state in this compound. FInally, both four-fold rotational symmetry and translation symmetry are recovered above T m , indicating that the PDW is a smectic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Constraining Magnetic Field Amplification in SN Shocks Using Radio Observations of SNe 2011fe and 2014J

We modeled the radio non-detection of two Type Ia supernovae (SNe), SN 2011fe and SN 2014J, considering synchrotron emission from the interaction between SN ejecta and the circumstellar medium. For ejecta whose outer parts have a power-law density structure, we compare synchrotron emission with radio observations. Assuming that 20% of the bulk shock energy is being shared equally between electrons and magnetic fields, we found a very low-density medium around both the SNe. A less tenuous medium with particle density ∼1 cm{sup −3}, which could be expected around both SNe, can be estimated when the magnetic field amplification is less than that presumed for energy equipartition. This conclusion also holds if the progenitor of SN 2014J was a rigidly rotating white dwarf (WD) with a main-sequence (MS) or red giant companion. For a He star companion, or a MS for SN 2014J, with 10% and 1% of bulk kinetic energy in magnetic fields, we obtain mass-loss rates of <10{sup −9} and <∼4×10{sup −9} M{sub ⊙} yr{sup −1} for a wind velocity of 100 km s{sup −1}. The former requires a mass accretion efficiency of >99% onto the WD, but is less restricted for the latter case. However, if the tenuous medium is due to a recurrent nova, it is difficult from our model to predict synchrotron luminosities. Although the formation channels of SNe 2011fe and 2014J are not clear, the null detection in radio wavelengths could point toward a low amplification efficiency for magnetic fields in SN shocks.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2002

Microgravity: Molecular Dynamics Simulations at the NCCS Probe the Behavior of Liquids in Low Gravity

The life of the very small, whether in something as complicated as a human cell or as simple as a drop of water, is of fundamental scientific interest: By knowing how a tiny amount of material reacts to changes in its environment, scientists maybe able to answer questions about how a bulk of material would react to comparable changes. NASA is in the forefront of computational research into a broad range of basic scientific questions about fluid dynamics and the nature of liquid boundary instability. For example, one important issue for the space program is how drops of water and other materials will behave in the low-gravity environment of space and how the low gravity will affect the transport and containment of these materials. Accurate prediction of this behavior is among the aims of a set of molecular dynamics experiments carried out on the NCCSs Cray supercomputers. In conventional computational studies of materials, matter is treated as continuous - a macroscopic whole without regard to its molecular parts - and the behavior patterns of the matter in various physical environments are studied using well-established differential equations and mathematical parameters based on physical properties such as compressibility density, heat capacity, and vapor pressure of the bulk material.

Source record↗
DOE OSTI2014

Optical waveguiding properties into porous gallium nitride structures investigated by prism coupling technique

In order to modulate the refractive index and the birefringence of Gallium Nitride (GaN), we have developed a chemical etching method to perform porous structures. The aim of this research is to demonstrate that optical properties of GaN can be tuned by controlling the pores density. GaN films are prepared on sapphire by metal organic chemical vapor deposition and the microstructure is characterized by transmission electron microscopy, and scanning electron microscope analysis. Optical waveguide experiment is demonstrated here to determine the key properties as the ordinary (n{sub 0}) and extraordinary (n{sub e}) refractive indices of etched structures. We report here the dispersion of refractive index for porous GaN and compare it to the bulk material. We observe that the refractive index decreases when the porous density p is increased: results obtained at 0.975 μm have shown that the ordinary index n{sub 0} is 2.293 for a bulk layer and n{sub 0} is 2.285 for a pores density of 20%. This value corresponds to GaN layer with a pore size of 30 nm and inter-distance of 100 nm. The control of the refractive index into GaN is therefore fundamental for the design of active and passive optical devices.

36 MATERIALS SCIENCE↗