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DOE OSTI2019

Ultrafast Hot Carrier Injection in Au/GaN: The Role of Band Bending and the Interface Band Structure

Plasmon photochemistry can potentially play a significant role in photocatalysis. To realize this potential, it is critical to enhance the plasmon excited hot carrier transfer and collection. However, the lack of atomistic understanding of the carrier transfer across the interface, especially when the carrier is still "hot", makes it challenging to design a more efficient system. In this work, we apply the nonadiabatic molecular dynamics simulation to study hot carrier dynamics in the system of a Au nanocluster on top of a GaN surface. By setting up the initial excited hole in Au, the carrier transfer from Au to GaN is found to be on a subpicosecond time scale. The hot hole first cools to the band edge of Au d-states while it transfers to GaN. After the hole has cooled down to the band edge of GaN, we find that some of the charges can return back to Au. By applying different external potentials to mimic the Schottky barrier band bending, the returning charge can be reduced, demonstrating the importance of the internal electric field. Finally, with the understanding of the carrier transfer's pathway, we suggest that a ZnO layer between GaN and Au can effectively block the "cold" carrier from returning back to Au but still allow the hot carrier to transfer from Au to GaN.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Spin-carrier coupling induced ferromagnetism and giant resistivity peak in EuCd 2 P 2

EuCd 2 P 2 is notable for its unconventional transport: upon cooling the metallic resistivity changes slope and begins to increase, ultimately 100-fold, before returning to its metallic value. Surprisingly, this giant peak occurs at 18 K, well above the Néel temperature (T N ) of 11.5 K. Here, using a suite of sensitive probes of magnetism, including resonant x-ray scattering and magneto-optical polarimetry, we have discovered that ferromagnetic order onsets above T N in the temperature range of the resistivity peak. The observation of inverted hysteresis in this regime shows that ferromagnetism is promoted by coupling of localized spins and itinerant carriers. The resulting carrier localization is confirmed by optical conductivity measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1979

Structure of deformed silicon and implications for low-cost solar cells

The paper reports on an investigation of the microstructure and minority carrier lifetime of silicon in uniaxially compressed silicon samples, the objective of which was to determine if it is feasible to produce silicon solar cells from sheet formed by high temperature deformation. It is reported that recrystallization was found to be incomplete in both fine and large grained materials, and that the major mode of recrystallization appears to be migration of existing boundaries into the deformed regions. Also, minority carrier diffusion length was found to be drastically reduced after deformation, perhaps due to contamination or cooling rate, and recovered only slightly with annealing. It is concluded that these results suggest that high temperature deformation of silicon for direct production of sheet for high efficiency solar cells is not practical. It is noted that potential may exist for its use as a coarse grained substrate.

Mardesich, N.↗

NASA NTRS1986

Test of the Hipparcos payload in the Liege vacuum facility focal

The Liege thermal vacuum optical bench (FOCAL) was used to control the mechanical stability of the structure of the European Space Agency's HIPPARCOS astrometry payload. The payload is designed to measure angles of .001 arcsec between stars during 2.5 years and this accuracy can only be reached with the extreme stability of the device. The structure of the payload is made of carbon fiber; it is thermally stabilized with an accuracy of .01 degrees C. During the test, the payload is enclosed in a shell made of shrouds having a geometry close to the shading structure of the spacecraft. The shroud temperatures are defined by the conditions in orbit, e.g., the spacecraft is spinning in front of the Sun with a period of two hours and the temperature of the shrouds is cycled around the payload with a 2 hour period. In order to avoid disturbances by vibrations, the payload is put on an adapter interfaced with the optical bench and the seismic block; the shrouds are supported by a carrier with no direct interface with the table. This method avoids perturbances brought about by the cooling fluid of the shrouds.

Jamar, C.↗

DOE OSTI2020

Imaging Andreev Reflection in Graphene

Coherent charge transport along ballistic paths can be introduced into graphene by Andreev reflection, for which an electron reflects from a superconducting contact as a hole, while a Cooper pair is transmitted. We use here a liquid-helium cooled scanning gate microscope (SGM) to image Andreev reflection in graphene in the magnetic focusing regime, where carriers move along cyclotron orbits between contacts. Images of flow are obtained by deflecting carrier paths and displaying the resulting change in conductance. When electrons enter the the superconductor, Andreev-reflected holes leave for the collecting contact. To test the findings, we destroy Andreev reflection with a large current and by heating above the critical temperature. In both cases, the reflected carriers change from holes to electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Flexible Thermoelectric Devices of Ultrahigh Power Factor by Scalable Printing and Interface Engineering

Printing is a versatile method to transform semiconducting nanoparticle inks into functional and flexible devices. In particular, thermoelectric nanoparticles are attractive building blocks to fabricate flexible devices for energy harvesting and cooling applications. However, the performance of printed devices are plagued by poor interfacial connections between nanoparticles and resulting low carrier mobility. While many rigid bulk materials have shown a thermoelectric figure of merit ZT greater than unity, it is an exacting challenge to develop flexible materials with ZT near unity. Here, a scalable screen-printing method to fabricate high-performance and flexible thermoelectric devices is reported. A tellurium-based nanosolder approach is employed to bridge the interfaces between the BiSbTe particles during the postprinting sintering process. The printed BiSbTe flexible films demonstrate an ultrahigh room-temperature power factor of 3 mW m -1 K -2 and ZT about 1, significantly higher than the best reported values for flexible films. A fully printed thermoelectric generator produces a high power density of 18.8 mW cm -2 achievable with a small temperature gradient of 80 °C. This screen-printing method, which directly transforms thermoelectric nanoparticles into high-performance and flexible devices, presents a significant leap to make thermoelectrics a commercially viable technology for a broad range of energy harvesting and cooling applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Light Management in Bifacial Photovoltaics with Spectrally Selective Mirrors

Spectrally-selective mirrors that simultaneously provide above-bandgap anti-reflection and sub-bandgap light rejection are tested for their ability to provide passive cooling to partially sub-bandgap transparent bifacial photovoltaics. The optical and thermal benefits of both idealized and real, low-complexity spectrally-selective mirrors on single-axis tracking, bifacial PERC arrays under realistic conditions are tested via rigorous finite element simulations. Four- and six-layer mirror designs increased carrier generation beyond what traditional antireflection coatings can provide without the associated cell heating. Here, idealized mirrors were found to provide up to 2.4 °C of cooling when included on both air/glass interfaces of the bifacial module.

14 SOLAR ENERGY↗

NASA NTRS1990

Spacelab - Beyond development

Spacelab is a series of multiple configuration payload carriers that fit in the Orbiter cargo bay. The carriers, ranging from pressurized modules to simple support structures that span across the cargo bay, provide a variety of payload support services, such as cooling, power distribution, data management, pointing, and structural attachment. Previously published papers have addressed the joint development of the initial Spacelab system by the European Space Agency (ESA) and the National Aeronautics and Space Administration (NASA). Herein, the emphasis will be on the NASA utilization and evaluation of the system into the operational era of the Space Transportation System (STS), system enhancement, additional carrier configuration, the effects of time on system hardware, and subsequent replacements and improvement. All configurations added were intended to fulfill payload requirements not originally foreseen. Subsystem replacements thus far have resulted from life limits or unreliable performance while assessments and plans are underway to look also for increased performance and new payload requirements, to the transition from Spacelab to the Space Station Freedom.

Johnson, Charles W.↗

DOE OSTI2020

Structural phase transition and manifestation of eddy currents in IR reflection spectra of PbSnTe semiconductor films

Infrared reflection spectra of thin (∼60 nm) Pb{sub 1−x} Sn{sub x}Te (x = 0.25, 0.53, 0.59) films grown by molecular beam epitaxy on GaAs/CdTe hybrid substrates have been measured at frequencies from 20 to 5500 cm{sup −1} and temperatures from 5 to 300 K. The spectra have been used to determine temperature-dependent transverse phonon and plasmon frequencies in the films, which has made it possible to identify a structural phase transition at T{sub C} ≈ 50 K. The plasma frequency of the films has been shown to increase with decreasing band gap on cooling from 300 to 77 K. The increase in plasma frequency is mainly attributable to the increase in carrier concentration and a transition of the carriers from vortex states on the film surface to the valence band. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1995

Integrated Cryogenic Satellite Communications Cross-Link Receiver Experiment

An experiment has been devised which will validate, in space, a miniature, high-performance receiver. The receiver blends three complementary technologies; high temperature superconductivity (HTS), pseudomorphic high electron mobility transistor (PHEMT) monolithic microwave integrated circuits (MMIC), and a miniature pulse tube cryogenic cooler. Specifically, an HTS band pass filter, InP MMIC low noise amplifier, HTS-sapphire resonator stabilized local oscillator (LO), and a miniature pulse tube cooler will be integrated into a complete 20 GHz receiver downconverter. This cooled downconverter will be interfaced with customized signal processing electronics and integrated onto the space shuttle's 'HitchHiker' carrier. A pseudorandom data sequence will be transmitted to the receiver, which is in low Earth orbit (LEO), via the Advanced Communication Technology Satellite (ACTS) on a 20 GHz carrier. The modulation format is QPSK and the data rate is 2.048 Mbps. The bit error rate (BER) will be measured in situ. The receiver is also equipped with a radiometer mode so that experiment success is not totally contingent upon the BER measurement. In this mode, the receiver uses the Earth and deep space as a hot and cold calibration source, respectively. The experiment closely simulates an actual cross-link scenario. Since the receiver performance depends on channel conditions, its true characteristics would be masked in a terrestrial measurement by atmospheric absorption and background radiation. Furthermore, the receiver's performance depends on its physical temperature, which is a sensitive function of platform environment, thermal design, and cryocooler performance. This empirical data is important for building confidence in the technology.

Romanofsky, R. R.↗

NASA NTRS1986

Fabrication of cooled radial turbine rotor

A design and fabrication program was conducted to evaluate a unique concept for constructing a cooled, high temperature radial turbine rotor. This concept, called split blade fabrication was developed as an alternative to internal ceramic coring. In this technique, the internal cooling cavity is created without flow dividers or any other detail by a solid (and therefore stronger) ceramic plate which can be more firmly anchored within the casting shell mold than can conventional detailed ceramic cores. Casting is conducted in the conventional manner, except that the finished product, instead of having finished internal cooling passages, is now a split blade. The internal details of the blade are created separately together with a carrier sheet. The inserts are superalloy. Both are produced by essentially the same software such that they are a net fit. The carrier assemblies are loaded into the split blade and the edges sealed by welding. The entire wheel is Hot Isostatic Pressed (HIPed), braze bonding the internal details to the inside of the blades. During this program, two wheels were successfully produced by the split blade fabrication technique.

Hammer, A. N.↗

DOE OSTI2020

Cold spray chromium coating for nuclear fuel rods

A method is provided for coating the substrate of a component, such as a zirconium alloy cladding tube, for use in a water cooled nuclear reactor under normal operating conditions and under high temperature oxidation conditions. The method includes heating a pressurized carrier gas to a temperature between 200° C. and 1200° C., adding chromium or chromium-based alloy particles having an average diameter of 20 microns or less to the heated carrier gas, and spraying the carrier gas and particles onto the substrate at a velocity, preferably from 800 to 4000 ft./sec. (about 243.84 to 1219.20 meters/sec.), to form a chromium and/or chromium-based alloy coating on the substrate to a desired thickness.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hydrogen Analysis by Gas Chromatography–Mass Spectrometry

The detection of hydrogen in complex gas mixtures is essential for many applications. Conventional approaches such as gas chromatography (GC) with thermal conductivity detection (TCD) and residual gas analyzers (RGAs) face significant limitations: TCD exhibits poor response when helium is used as a carrier gas, whereas RGAs lack chromatographic separation, preventing reliable quantification of hydrogen because of interference from other species. Traditional GC methods rely on dual-column configurations with packed or molecular-sieve porous layer open tubular (PLOT) columns to separate hydrogen from O2, N2, CO, CO2, CH4, and other hydrocarbons, increasing system complexity and limiting compatibility with mass spectrometry (MS) detection. In this work, we developed and validated a robust GC–MS method capable of directly detecting and quantifying hydrogen using electron ionization (EI) without dopants, reagent gases, or ion–molecule reaction schemes. By integrating a modified EI source and a cryogenically cooled single capillary column configuration, we achieved baseline separation of hydrogen from all major permanent gases and hydrocarbons in a refinery gas mixture using helium as the carrier gas. The method demonstrated excellent linearity, high sensitivity, and exceptional reproducibility. Adjustable sample-loop volumes and split ratios enabled optimization of peak shape and signal-to-noise performance for trace-level and percent-level hydrogen concentrations. Beyond hydrogen quantitation, the method provides simultaneous compositional profiling of other gases in a mixture in a single run, making it valuable for a wide range of tasks.

Lobodin, Vlad [ORNL]↗

NASA NTRS1972

A microwave-biased millimeter- and submillimeter-wave detector using InSb.

Description of a high-purity n-type indium antimonide sample mounted in a reentrant cavity, cooled to 4.2 K, and operated as a millimeter-wave detector. The scheme utilizes a down-conversion process, and free-carrier absorption is the mechanism responsible for the detection process. Power applied at the millimeter-wave frequency causes a change in the material conductivity, which in turn causes a change in the X-band power absorption. Cavity perturbation techniques are used to analyze the scheme. The detector was operated successfully at frequencies between 35 and 150 GHz with no long-wavelength or short-wavelength cutoff observed. The scheme offers a fast, highly sensitive, and rugged detector with low conversion loss.

Eldumiati, I. I.↗

NASA NTRS1989

Orienting Superconductive Crystals For High Current Density

Proposed technique for controlled distortion of crystal grains in newly discoverd superconductor YBa2Cu3O7-x increases current-carrying capacity. Helps to ensure grains in this and other anisotropic materials all oriented in same direction so charge carriers transferred readily from one grain to another. Specimen of YBa2Cu3O7-x heated in oxygen atmosphere compressed in one direction as slowly cooled below transition temperature. Under these conditions, oxygen atoms tend to rearrange so as to relieve stress created by compression.

Shlichta, Paul J.↗

NASA NTRS2003

Test Rig for Evaluating Active Turbine Blade Tip Clearance Control Concepts

Improved blade tip sealing in the high pressure compressor and high pressure turbine can provide dramatic improvements in specific fuel consumption, time-on-wing, compressor stall margin and engine efficiency as well as increased payload and mission range capabilities of both military and commercial gas turbine engines. The preliminary design of a mechanically actuated active clearance control (ACC) system for turbine blade tip clearance management is presented along with the design of a bench top test rig in which the system is to be evaluated. The ACC system utilizes mechanically actuated seal carrier segments and clearance measurement feedback to provide fast and precise active clearance control throughout engine operation. The purpose of this active clearance control system is to improve upon current case cooling methods. These systems have relatively slow response and do not use clearance measurement, thereby forcing cold build clearances to set the minimum clearances at extreme operating conditions (e.g., takeoff, re-burst) and not allowing cruise clearances to be minimized due to the possibility of throttle transients (e.g., step change in altitude). The active turbine blade tip clearance control system design presented herein will be evaluated to ensure that proper response and positional accuracy is achievable under simulated high-pressure turbine conditions. The test rig will simulate proper seal carrier pressure and temperature loading as well as the magnitudes and rates of blade tip clearance changes of an actual gas turbine engine. The results of these evaluations will be presented in future works.

Lattime, Scott B.↗

DOE OSTI2023

Evaluation of Corrosion Behavior of Various Fe- and Ni-Based Alloys in Molten Li 2 BeF 4 (FLiBe)

Reliable performance of structural alloys is essential for the successful implementation of Generation-IV fluoride salt–cooled high-temperature reactors (FHRs). Most FHR designs are considering molten salt (2LiF-BeF 2 ), or FLiBe, as a primary coolant or fuel carrier. The main corrosion mechanism for alloys exposed to molten fluoride salts is the selective dealloying of active alloying elements. Alloy composition has a significant effect on their high-temperature mechanical properties, but also affects their corrosion behavior. Although Hastelloy-N and its variants show good corrosion resistance compared to higher Cr-containing Ni- or Fe-based alloys, the mechanical properties of these alloys degrade quickly at temperatures above ~600°C. Twelve Ni-based or Fe-based alloys were selected due to their high temperature stability or their low Cr alloy composition and tested for their corrosion behavior in FLiBe. The results show that the mode and the extent of alloy degradation by selective dissolution mechanism corelates well with the overall alloy composition, and not just the concentration of active elements. It was found that there was good correlation between weight loss of the tested alloys and the ratio of major active elements (Cr, Mn) to that of the more noble alloying elements (Ni, Mo).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Physical properties and thermal stability of Fe 5 - x GeTe 2 single crystals

The magnetic and transport properties of Fe-deficient Fe 5 GeTe 2 single crystals (Fe 5-x GeTe 2 with x≈0.3) were studied and the impact of thermal processing was explored in this work. Quenching crystals from the growth temperature has been previously shown to produce a metastable state that undergoes a strongly hysteretic first-order transition upon cooling below ≈100 K. The first-order transition impacts the magnetic properties, yielding an enhancement in the Curie temperature $T_C$ from 270 to 310 K. In the present work, $T_{HT}$ ≈ 550 K has been identified as the temperature above which metastable crystals are obtained via quenching. Diffraction experiments reveal a structural change at this temperature, and significant stacking disorder occurs when samples are slowly cooled through this $\textit{T}$ range. The transport properties are demonstrated to be similar regardless of the crystal's thermal history. The scattering of charge carriers appears to be dominated by moments fluctuating on the Fe(1) sublattice, which remain dynamic down to ≈100–120 K. Maxima in the magnetoresistance and anomalous Hall resistance are observed near 120 K. The Hall and Seebeck coefficients are also impacted by magnetic ordering on the Fe(1) sublattice. The data suggest that both electrons and holes contribute to conduction above 120 K, but that electrons dominate at lower $\textit{T}$ when all of the Fe sublattices are magnetically ordered. This study demonstrates a strong coupling of the magnetism and transport properties in Fe 5-x GeTe 2 and complements the previous results that demonstrated strong magnetoelastic coupling as the Fe(1) moments order.

36 MATERIALS SCIENCE↗