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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SRF niobium characterization using SIMS and FIB-TEM

Our understanding of superconducting radio frequency (SRF) accelerator cavities has been improved by elemental analysis at high depth resolution and by high magnification microscopy. This paper summarizes the technique development and the results obtained on poly-crystalline, large grain, and single crystal SRF niobium. Focused ion beam made possible sample preparation using transmission electron microscopy and the images obtained showed a very uniform oxide layer for all samples analyzed. Secondary ion mass spectrometry indicated the presence of a high concentration of hydrogen and the hydrogen content exhibited a relationship with improvement in performance. Depth profiles of carbon, nitrogen, and oxygen did not show major differences with heat treatment. Niobium oxide less than 10 nm thick was shown to be an effective hydrogen barrier. Niobium with titanium contamination showed unexpected performance improvement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Local structure study on magnetostrictive material Tb 1–x Dy x Fe 2

Tb 1–x Dy x Fe 2 system has attracted more research interest due to the large magnetostrictive effect. The crystal structures and physical properties have been well studied, but research studies on their local structures are still rare. As such, in this work, the local structure of Tb 1–x Dy x Fe 2 samples was studied using the pair distribution function and x-ray absorption spectroscopy techniques. The results demonstrate that the system owns the same local crystal symmetry with its average structure in the ferromagnetic phase, and the crystal lattice of the system is more ordered with increasing Dy content, indicating that the Dy-rich tetragonal phase is more stable than the Tb-rich rhombohedral phase. The different roles of metallic bonds in affecting the crystal lattice are presented. The weak Fe 1 –Fe 2 bonds influenced by the local environment such as local stress from randomly distributed nanodomains could originate the anomalies in the lattice, resulting in the more ordered and stable Dy-rich phase than the Tb-rich phase.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Charge disproportionation and the pressure-induced insulator–metal transition in cubic perovskite PbCrO 3

Significance The steric activity of the lone pair electrons of Pb 2+ -containing compounds distorts the crystal structure and produces exotic physical properties. In ferroelectric PbTiO 3 and PbVO 3 , the lone-pair electrons hybridizing with the oxygen lead to polarized MO 6 octahedra. In PbRuO 3 , the hybridization induces unprecedented Pb-Ru bonds at high pressure. The sterochemical effect in PbCrO 3 makes Pb bond with oxygen without a long-range periodicity. Under the influence of displaced Pb 2+ , Cr 4+ undergoes a charge disproportionation that opens up a gap. In contrast to the pressure effect on PbTiO 3 and PbRuO 3 , pressure restores the undistorted perovskite structure in PbCrO 3 . This result implies that the sterochemical effect of Pb 2+ in a perovskite depends sensitively on the number and energy of the d electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

High aspect ratio nanotubes assembled from macrocyclic iminium salts

One-dimensional nanostructures such as carbon nanotubes and actin filaments rely on strong and directional interactions to stabilize their high aspect ratio shapes. This requirement has precluded making isolated, long, thin organic nanotubes by stacking molecular macrocycles, as their noncovalent stacking interactions are generally too weak. Here we report high aspect ratio (>10 3 ), lyotropic nanotubes of stacked, macrocyclic, iminium salts, which are formed by protonation of the corresponding imine-linked macrocycles. Iminium ion formation establishes cohesive interactions that, in organic solvent (tetrahydrofuran), are two orders of magnitude stronger than the neutral macrocycles, as explained by physical arguments and demonstrated by molecular dynamics simulations. Furthermore, nanotube formation stabilizes the iminium ions, which otherwise rapidly hydrolyze, and is reversed and restored upon addition of bases and acids. Acids generated by irradiating a photoacid generator or sonicating chlorinated solvents also induced nanotube assembly, allowing these nanostructures to be coupled to diverse stimuli, and, once assembled, they can be fixed permanently by cross-linking their pendant alkenes. As large macrocyclic chromonic liquid crystals, these iminium salts are easily accessible through a modular design and provide a means to rationally synthesize structures that mimic the morphology and rheology of carbon nanotubes and biological tubules.

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

Robust tunability of magnetoresistance in half-Heusler R PtBi ( R = Gd , Dy, Tm, and Lu) compounds

We present the magnetic field dependencies of transport properties for R PtBi ( R = Gd, Dy, Tm, and Lu) half-Heusler compounds. Temperature- and field-dependent resistivity measurements of high-quality R PtBi single crystals reveal an unusually large, nonsaturating magnetoresistance (MR) up to 300 K under a moderate magnetic field of H = 140 kOe. At 300 K, the large MR effect decreases as the rare earth is traversed from Gd to Lu and the magnetic field dependence of MR shows a deviation from the conventional H 2 behavior. The Hall coefficient ( R H ) for R = Gd indicates a sign change around 120 K, whereas R H curves for R = Dy, Tm, and Lu remain positive for all measured temperatures. At 300 K, the Hall resistivity reveals a deviation from the linear field dependence for all compounds. Thermoelectric power measurements on this family show strong temperature and magnetic field dependencies which are consistent with resistivity measurements. A highly enhanced thermoelectric power under applied magnetic field is observed as high as ~100 μV/K at 140 kOe. Furthermore, analysis of the transport data in this series reveals that the rare-earth-based half-Heusler compounds provide opportunities to tune MR effect through lanthanide contraction and to elucidate the mechanism of nontrivial MR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dipolar-octupolar Ising antiferromagnetism in Sm 2 Ti 2 O 7 : A moment fragmentation candidate

Over the past two decades, the magnetic ground states of all rare-earth titanate pyrochlores have been extensively studied, with the exception of Sm 2 Ti 2 O 7 . This is, in large part, due to the very high absorption cross section of naturally occurring samarium, which renders neutron scattering infeasible. To combat this, we have grown a large, isotopically enriched single crystal of Sm 2 Ti 2 O 7 . Using inelastic neutron scattering, we determine that the crystal field ground state for Sm3+ is a dipolar-octupolar doublet with Ising anisotropy. Neutron diffraction experiments reveal that Sm 2 Ti 2 O 7 orders into the all-in, all-out magnetic structure with an ordered moment of 0.44(7)μ B below TN=0.35 K, consistent with expectations for antiferromagnetically coupled Ising spins on the pyrochlore lattice. Zero-field muon spin relaxation measurements reveal an absence of spontaneous oscillations and persistent spin fluctuations down to 0.03 K. In conclusion, the combination of the dipolar-octupolar nature of the Sm 3+ moment, the all-in, all-out ordered state, and the low-temperature persistent spin dynamics make this material an intriguing candidate for moment fragmentation physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Resonance-enhanced optical nonlinearity in the Weyl semimetal TaAs

The second-order conductivity of a material, σ (2) , relating current to the square of electric field, is nonzero only when inversion symmetry is broken, unlike the conventional linear conductivity. Second-order nonlinear optical responses are thus powerful tools in basic research as probes of symmetry breaking; they are also central to optical technology as the basis for generating photocurrents and frequency doubling. The recent surge of interest in Weyl semimetals with acentric crystal structures has led to the discovery of a host of σ (2) -related phenomena in this class of materials, such as polarization-selective conversion of light to dc current (photogalvanic effects) and the observation of giant second-harmonic generation (SHG) efficiency in TaAs at photon energy 1.5 eV. Here, we present measurements of the SHG spectrum of TaAs, revealing that the response at 1.5 eV corresponds to the high-energy tail of a resonance at 0.7 eV, at which point the second harmonic conductivity is approximately 200 times larger than seen in the standard candle nonlinear crystal, GaAs. This remarkably large SHG response provokes the question of ultimate limits on σ (2) , which we address by a new theorem relating frequency-integrated nonlinear response functions to the third cumulant (or "skewness") of the polarization distribution function in the ground state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Purely Cubic Spin Splittings with Persistent Spin Textures

Purely cubic spin splittings in the band structure of bulk insulators have not been extensively investigated yet despite the fact that they may pave the way for novel spin-orbitronic applications and can also result in a variety of promising spin phenomena. By symmetry analysis and first-principles simulations, we report symmetry-enforced purely cubic spin splittings (SEPCSS) that can even lead to persistent spin textures. In particular, these SEPCSS can be thought to be complementary to the cubic Rashba and cubic Dresselhaus types of spin splittings. Strikingly, the presently discovered SEPCSS are expected to exist in the large family of materials crystallizing in the $\bar{6}m2$ and $\bar{6}$ point groups, including the Ge 3 Pb 5 O 11 , Pb 7 Br 2 F 12 , and Pb 7 Cl 2 F 12 compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Topological Hall Effect Anisotropy in Kagome Bilayer Metal Fe 3 Sn 2

Kagome lattice materials attract growing interest for their topological properties and flat-bands in electronic structure. We present comprehensive study on the anisotropy and out-of-plane electric transport in Fe 3 Sn 2 , a metal with bilayer of Fe kagome planes and with massive Dirac fermions that features high-temperature non-collinear magnetic structure and magnetic skyrmions. For the electrical current path along the c-axis, in micron-size crystals, we found a large topological Hall effect (THE) over a wide temperature range down to spin-glass state. Twofold and fourfold angular magnetoresistance are observed for different magnetic phases, reflecting the competition of magnetic interactions and magnetic anisotropy in kagome lattice that preserve robust topological Hall effect for inter kagomebilayer currents. This information provides new insight into the anisotropy in Fe 3 Sn 2 , of interest in skyrmionicbubble application-related micron-size devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Hard X-ray self-seeding commissioning at PAL-XFEL

A wake monochromator based on a large-area diamond single crystal for hard X-ray self-seeding has been successfully installed and commissioned in the hard X-ray free-electron laser (FEL) at the Pohang Accelerator Laboratory with international collaboration. For this commissioning, the self-seeding was demonstrated with a low bunch charge (40 pC) and the nominal bunch charge (180 pC) of self-amplified spontaneous emission (SASE) operation. The FEL pulse lengths were estimated as 7 fs and 29.5 fs, respectively. In both cases, the average spectral brightness increased by more than three times compared with the SASE mode. The self-seeding experiment was demonstrated for the first time using a crystal with a thickness of 30 µm, and a narrow bandwidth of 0.22 eV (full width at half-maximum) was obtained at 8.3 keV, which confirmed the functionality of a crystal with such a small thickness. In the nominal bunch-charge self-seeding experiment, the histogram of the intensity integrated over a 1 eV bandwidth showed a well defined Gaussian profile, which is evidence of the saturated FEL and a minimal electron-energy jitter (~1.2 × 10 –4 ) effect. Here, the corresponding low photon-energy jitter (~2.4 × 10 –4 ) of the SASE FEL pulse, which is two times lower than the Pierce parameter, enabled the seeding power to be maximized by maintaining the spectral overlap between SASE FEL gain and the monochromator.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Thermal conductivity studies of CdZnTe with varying Te excess

Cadmium Zine Telluride (CZT) has been extensively studied as a room temperature semiconductor gamma radiation detector. CZT continues to show promise as a bulk and pixelated gamma spectrometer with less than one percent energy resolution; however the fabrication costs are high. Improved yields of high quality, large CZT spectroscopy grade crystals must be achieved. CZT is grown by the Traveling Heater Method (THM) with a Te overpressure to account for vaporization losses. This procedure creates Te rich zones. During growth, boules will often cleave limiting the number of harvestable crystals. As a result, crystal growth parameter optimization was evaluated by modeling the heat flow within the system. Interestingly, Cadmium Telluride (CdTe) is used as a thermal conductivity surrogate in the absence of a thorough study of the CZT thermal properties. The current study has measured the thermal conductivity of CZT pressed powders with varying Te concentrations from 50-100% over 25-800°C to understand the variation in this parameter from CdTe. Cd0.9Zn0.1Te1.0 is the base CZT (designated 50%). CZT exhibits a thermal conductivity of nearly 1 W/mK, an order of magnitude greater than CdTe. Lastly, the thermal conductivity decreased with increasing Te concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spontaneous exciton dissociation in transition metal dichalcogenide monolayers

Since the seminal work on MoS 2 , photoexcitation in atomically thin transition metal dichalcogenides (TMDCs) has been assumed to result in excitons, with binding energies order of magnitude larger than thermal energy at room temperature. Here, we reexamine this foundational assumption and show that photoexcitation of TMDC monolayers can result in a substantial population of free charges. Performing ultrafast terahertz spectroscopy on large-area, single-crystal TMDC monolayers, we find that up to ~10% of excitons spontaneously dissociate into charge carriers with lifetimes exceeding 0.2 ns. Scanning tunneling microscopy reveals that photocarrier generation is intimately related to mid-gap defects, likely via trap-mediated Auger scattering. Only in state-of-the-art quality monolayers, with mid-gap trap densities as low as 10 9 cm –2 , does intrinsic exciton physics start to dominate the terahertz response. Our findings reveal the necessity of knowing the defect density in understanding photophysics of TMDCs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Synthesis, characterization, and luminescent properties of two new Zr(IV) metal–organic frameworks based on anthracene derivatives

Metal–organic frameworks (MOFs) are crystalline materials constructed from metal ions or clusters, connected by multidentate organic ligands. Herein, we describe the synthesis and photophysical properties of two Zr-based, anthracene-containing MOFs, assembled from 2,6-anthracenedicarboxylic acid (2,6-ADCA and 2,6-MOF) and 1,4-anthracenedicarboxylic acid (1,4-ADCA and 1,4-MOF). The 2,6-ADCA analogue formed a highly crystalline octahedral structure that is isostructural with the well-known UiO-67 frameworks. Incorporation of the 1,4-ADCA ligand, on the other hand, resulted in large rod-shaped crystals. Both MOFs exhibit linker-based luminescence. The excited-state properties of the 2,6-MOF and 1,4-MOF were examined using stead-state diffuse reflectance and emission spectroscopies and time-correlated single photon counting (TCSPC) spectroscopy. The photophysical properties of the MOFs are compared with those of the corresponding ligand in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Crystallized Silicon Nanostructures - Experimental Characterization and Atomistic Simulations

We have synthesized silicon nanocrystalline structures from thermal annealing of thin film amorphous silicon-based multilayers. The annealing procedure that was carried out in vacuum at temperatures up to 1100 °C is integrated in a X-ray diffraction (XRD) setup for real-time monitoring of the formation phases of the nanostructures. The microstructure of the crystallized films is investigated through experimental measurements combined with atomistic simulations of realistic nanocrystalline silicon (nc-Si) models. The multilayers consisting of uniformly alternating thicknesses of hydrogenated amorphous silicon and silicon oxide (SiO2) were deposited by plasma enhanced chemical vapor deposition on crystalline silicon and Corning glass substrates. The crystallized structure consisting of nc-Si structures embedded in an amorphous matrix were further characterized through XRD, Raman spectroscopy, and Fourier transform infrared measurements. We are able to show the different stages of nanostructure formation and how the sizes and the crystallized mass fraction can be controlled in our experimental synthesis. The crystallized silicon structures with large crystalline filling fractions exceeding 50% have been simulated with a robust classical molecular dynamics technique. The crystalline filling fractions and structural order of nc-Si obtained from this simulation are compared with our Raman and XRD measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strain glass state of magnetic shape memory alloy Ni45Co5Mn36.6In13.4 measured on ARCS at 300 K

Combined inelastic neutron scattering data from ARCS on the strain glass state of Ni45Co5Mn36.6In13.4 measured at 300 K. Crystal was oriented with HHL in the scattering plane. To obtain a large Q-E volume the crystal was rotated in the beam and the individual angles were combined using the HORACE software package (https://pace-neutrons.github.io/Horace/unstable/user_guide/Getting_started.html).

excitations↗
DOE OSTI2024

Strain glass state of magnetic shape memory alloy Ni45Co5Mn36.6In13.4 measured on SEQUOIA at 5 K

Combined inelastic neutron scattering data from SEQUOIA on the strain glass state of Ni45Co5Mn36.6In13.4 measured at 5 K. Crystal was oriented with HHL in the scattering plane. To obtain a large Q-E volume the crystal was rotated in the beam and the individual angles were combined using the HORACE software package (https://pace-neutrons.github.io/Horace/unstable/user_guide/Getting_started.html).

excitations↗
DOE OSTI2022

The Readout Electronics of the Mu2e Electromagnetic Calorimeter

The Mu2e electromagnetic calorimeter has been designed to measure ~100 MeV electrons with energy resolution σE/E <10%, time resolution σt < 500ps and position resolution σx < 1cm. The detector is composed of 1348 un-doped CsI crystals coupled to two large area Silicon Photomultipliers (SiPMs). Each SiPM is connected to a Front End Electronics (FEE) chip which hosts the shaping amplifier and the high voltage linear regulator. A group of 20 FEE is controlled by one Mezzanine Board (MB) which transmits the amplified signals to one Digitizer ReAdout Controller board (DiRAC). The DiRAC samples the waveforms at 200 MHz with 12-bit ADCs, packs the data according to the Mu2e custom format and transmits them to the event builder through an optical transceiver. To limit the number of pass-through connectors and the length of the cables, the readout and digitization electronics is located inside the detector cryostat and close to the interaction target. The boards will have to sustain a neutron fluence of about 5x10 10 n/cm 2 @ 1 MeVeq (Si)/y and a Total Ionizing Dose of about 12 krad, while working into a 1T magnetic field and a vacuum of 10 (-4) Torr. This harsh operational environment has made the electronics design challenging and required an extended campaign of tests to select and qualify the employed electronic components. In this paper we report on the board architecture and design, on the qualification of the prototypes, as well as on the results of the first vertical slice test of the Mu2e calorimeter.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗