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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Understanding the effect of irradiation and silicon carbide microstructure on silver diffusion in TRISO particles

The silicon carbide (SiC) layer in tristructural isotropic (TRISO) fuel particles serves as a barrier to prevent the escape of fission from the fuel kernel. The release of silver (Ag) is a concern due to the long half-life of the 110mAg isotope. In this study, a combination of atomistic and phase-field methods focuses on quantifying the effect of irradiation and SiC microstructure on Ag diffusion. Atomistic calculations provide the Ag diffusivity in SiC bulk and GBs, also providing an estimate of the effect of irradiation defects on Ag diffusivity in bulk SiC. These lower length scale efforts are leveraged to develop a mesoscale effective Ag diffusion coefficient (Deff) in SiC. Deff is defined as a function of temperature, microstructure variables, and fluence. Deff is implemented in the fuel performance code Bison to predict Ag release from AGR-1 and AGR-2 TRISO fuel particles. We hereby quantify the impact of SiC grain size and irradiation on Ag release and improve Bison's predictions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A Method to Probe the Interfaces in La2−xSrxCuO4-LaSrAlO4-La2−xSrxCuO4 Trilayer Junctions

C-axis trilayer cuprate Josephson junctions are essential for basic science and digital circuit applications of high-temperature superconductors. We present a method for probing the interface perfection in La2−xSrxCuO4 (LSCO)-LaSrAlO4 (LSAO)-La2−xSrxCuO4 trilayer junctions. A series of LSCO-LSAO superlattices with atomically smooth surfaces and sharp interfaces were grown by the atomic-layer-by-layer molecular beam epitaxy (ALL-MBE) technique. We have systematically varied the thickness of LSCO and LSAO layers with monolayer precision. By studying the mutual inductance and electrical transport in these superlattices, we detect the non-superconducting (“dead”) layers at the interfaces and quantify their thicknesses. Our results indicate that two optimally doped LSCO monolayers just above and below the one monolayer LSAO barrier are no longer superconducting, rendering the actual barrier thickness of five monolayers. Next, we have shown that introducing a protective highly-overdoped LSCO layer reduces the thickness of dead layers by one or two monolayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Pseudotunnel Magnetoresistance in Twisted van der Waals Fe 3 GeTe 2 Homojunctions

Abstract Twistronics, a novel engineering approach involving the alignment of van der Waals (vdW) integrated two‐dimensional materials at specific angles, has recently attracted significant attention. Novel nontrivial phenomena have been demonstrated in twisted vdW junctions (the so‐called magic angle), such as unconventional superconductivity, topological phases, and magnetism. However, there have been only few reports on integrated vdW layers with large twist angles θ t , such as twisted interfacial Josephson junctions using high‐temperature superconductors. Herein, vdW homojunctions of the thin‐magnetic flakes, Fe 3 GeTe 2 (FGT), with large θ t ranging from 0° to 90°, without inserting any tunnel barriers are assembled. Nevertheless, these vdW homojunctions exhibit tunnel‐magnetoresistance (TMR) like behavior (pseudo‐TMR (PTMR) effect) with the ratios highly sensitive to the θ t values, revealing that the vdW gap at the junction interface between the twisted FGT layers behaves like a tunnel barrier and the θ t serves a control parameter for PTMR by drastically varying magnitudes of the lattice‐mismatch and the subsequent appearance of antiferromagnetic (AFM) spin alignment. First‐principles calculations considering vacuum gaps indicate strong dependence of TMR on the θ t driven by the sixfold screw rotational symmetry of bulk FGT. The present homojunctions hold promise as a platform for novel AFM spin‐dependent phenomena and spintronic applications.

Obata, Reiji [Faculty of Science and Engineering A↗
DOE OSTI2026

Temperature dependent interfacial microstructure in HIP-bonded Al6061/Zr joints

Pressing (HIP) at 450 °C and 560 °C under 103 MPa for 90 minutes to evaluate interfacial diffusion and microstructural evolution. Sound metallurgical bonding was achieved at both temperatures, with Zr serving as an effective diffusion barrier. Microstructural analysis revealed the the formation of a (Al,Si)3Zr intermetallic layer at the Al/Zr interface, whose thickness increased from ~100 nm at 450 °C to ~2100 nm at 560 °C, consistent with temperature-driven diffusion kinetics. The thin and continuous reaction layer observed at 450 °C indicates controlled interdiffusion and minimal reaction zone growth, favorable for maintaining interface stability and ductility. At 560 °C, enhanced atomic mobility led to pronounced intermetallic development, confirming diffusion-controlled growth behavior. These results provide valuable insights for optimizing Al/Zr interface design and diffusion barrier performance in advanced structural and energy systems.

Al/Zr interface↗
NASA NTRS1988

Barrier height enhancement of InP-based n-Ga(0.47)In(0.53)As Schottky-barrier diodes grown by molecular beam epitaxy

Barrier height enhancement of an InP-based p(+)n-Ga(0.47)In(0.53)As Schottky diode grown by MBE has been demonstrated for infra-red photodetector applications. A barrier height of 0.35 eV for n-Ga(0.47)In(0.53)As Schottky barrier diodes, was increased to the effective barrier height of 0.55 eV, with a p(+)-Ga(0.47)In(0.53)As surface layer of 30 nm thick. The results show a reverse leakage current density of 0.0015 A/sq cm and a junction capacitance of 0.3 pF, which are comparable to those of p-Ga(0.47)In(0.53)As Schottky-barrier diodes at a reverse bias voltage of 5 V.

Kim, J. H.↗
NASA NTRS1989

Characterization of multilayer GaAs/AlGaAs transistor structures by variable angle spectroscopic ellipsometry

Variable angle of incidence spectroscopic ellipsometry (VASE) has been implemented as a means of determining layer thickness, alloy composition, and growth quality of GaAs/AlGaAs samples composed of relatively thick layers as well as superlattices. The structures studied in this work contained GaAs/AlGaAs multilayers with a superlattice 'barrier' and were grown for later formation of modulation-doped field effect transistors (MODFETs). Sample modeling was performed by treating the superlattice as a bulk AlGaAs layer of unknown composition. Extremely good data fits were realized when five layer thicknesses and two alloy ratios were allowed to vary in a regression analysis. Room temperature excitonic effects associated with the e-hh(1), e-lh(1) and e-hh(2) transitions were observed in the VASE data.

Merkel, Kenneth G.↗
DOE OSTI2021

Vacancy‐Enabled O3 Phase Stabilization for Manganese‐Rich Layered Sodium Cathodes

Abstract Manganese‐rich layered oxide materials hold great potential as low‐cost and high‐capacity cathodes for Na‐ion batteries. However, they usually form a P2 phase and suffer from fast capacity fade. In this work, an O3 phase sodium cathode has been developed out of a Li and Mn‐rich layered material by leveraging the creation of transition metal (TM) and oxygen vacancies and the electrochemical exchange of Na and Li. The Mn‐rich layered cathode material remains primarily O3 phase during sodiation/desodiation and can have a full sodiation capacity of ca. 220 mAh g −1 . It delivers ca. 160 mAh g −1 specific capacity between 2–3.8 V with >86 % retention over 250 cycles. The TM and oxygen vacancies pre‐formed in the sodiated material enables a reversible migration of TMs from the TM layer to the tetrahedral sites in the Na layer upon de‐sodiation and sodiation. The migration creates metastable states, leading to increased kinetic barrier that prohibits a complete O3‐P3 phase transition.

Xiao, Biwei↗
DOE OSTI2021

Role of deep levels and barrier height lowering in current-flow mechanism in 150 μ m thick epitaxial n-type 4H–SiC Schottky barrier radiation detectors

Schottky barrier detectors (SBDs) require larger surface areas than conventional electronics to increase the detection efficiency although such SBDs manifest large diode ideality factors due to inhomogeneous areal distribution of surface barrier height (SBH). Inhomogeneous SBH distributions lead to various current flow mechanisms in SBDs, which need to be identified to optimize detector performance. In this Letter, we identify the current flow mechanism in large area Schottky barrier diodes for radiation detection fabricated on 150 μm thick n-4H–SiC epitaxial layers. The analysis of temperature-dependent forward current–voltage (I–V–T) characteristics of SBDs revealed two linear regions in current–voltage curves up to 450 K, one corresponding to the current flow through a low barrier patch, while the other corresponds to that of average barrier distribution. Applying a SBH distribution model to the reverse I–V–T characteristics, an activation energy of 0.76 eV for the current flow over the Schottky barrier was calculated. Additionally, the activation energy did not directly correspond to any of the defect levels observed from the deep level transient spectroscopy (DLTS). Above 450 K, a Schottky type barrier lowering suggested a current flow through a low barrier patch of ≈ 0.8 eV. The absence of any SBH lowering below 450 K indicated that the current corresponded to a neutrally charged trap level at ≈ 0.6 eV below the conduction band edge, which was consistent with DLTS measurements revealing the presence of an electron trap level Z1/2 at 0.59 eV below the conduction band edge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Negative Schottky Barriers and Spin-Polarized Fermi Crossings at WSe 2 /NbSe 2 Interfaces

Discovering and engineering spin-polarized surface states in the electronic structures of condensed matter systems is a crucial first step in the development of spintronic devices, wherein spin-polarized bands crossing the Fermi level can facilitate information transfer. Here, through nanofocused angle-resolved photoemission spectroscopy (nano-ARPES) and density functional theory-based calculations, we show that the interface between monolayer WSe 2 and metallic NbSe 2 exhibits a negative Schottky barrier height of ∼ −30 meV: the K-point valleys of the semiconducting layer are shifted by ∼800 meV to produce a surface-localized Fermi surface populated only by spin-polarized charge carriers. By increasing the WSe 2 thickness, the Fermi pockets can be moved from K to Γ, demonstrating tunability of novel semimetallic phases that exist atop a substrate additionally possessing charge density wave and superconducting phases. Together, this study provides a spectroscopic understanding into p-type, Schottky barrier-free interfaces, which are of urgent interest for bypassing the limitations of current-generation vertical field effect transistors, in addition to longer-term spintronics development.

2D material heterostructures↗
DOE OSTI2024

Impact of temperature variations on BISON predictions of Ag release in AGR-1 and AGR-2 experiments

Understanding and quantifying the release of fission products like silver (Ag) from TRistructural ISOtropic (TRISO) fuel particles is important to assess the safe operation of advanced high temperature reactors. Although the silicon carbide (SiC) layer of TRISO particles is effective as the main fission product barrier, Ag can be released from intact TRISO particles. A mechanistic model for the effective Ag diffusivity, D eff , was previously developed as a function of temperature and microstructure variables informed by atomistic modeling of Ag diffusivity on the mesoscale. Here in this study, we use this model to explore how experimental temperature uncertainties impact the overall predicted Ag release. This analysis shows that temperature uncertainties have a significant impact on the overall Ag release predictions. Furthermore, we show that the time average volume average temperature (TAVA) temperature is not an appropriate proxy for temperature histories to predict fission product release. We attribute this to the Arrhenius dependence of Ag diffusivity with respect to temperature. The detailed temperature histories, therefore, provide the most accurate results are are of most importance for modeling efforts. Overall, this work shows the importance of considering the experimental uncertainty of the temperature on computational predictions of fission product transport and release and the need for more accurate temperature histories from future experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Creating Functional Oxynitride–Silicon Interfaces and SrNbO 2 N Thin Films for Photoelectrochemical Applications

Photoelectrochemical performance dependence upon absorption length, carrier diffusion length, and surface area of an oxynitride photoabsorber is investigated. How best to fabricate optical-quality thin films of bandgap-tunable oxynitrides is also discussed. We targeted the stoichiometric compound SrNbO 2 N as an optimal wide-bandgap photoabsorber (1.9 eV) for use with silicon (1.1 eV) in a tandem structure photoelectrochemical cell. Preparation of perovskite oxynitrides at high-temperature as isolated powders is often straightforward, but it is difficult to integrate them as thin films in tandem junction devices with low-temperature materials. Here we develop the first method to prepare optical-quality SrNbO 2 N thin-films of tunable thickness and roughness on single-crystal silicon substrate. This achievement required an interfacial layer of ultra-thin TaN to be used as a barrier to reduce the inter-diffusion of silicon and oxygen during oxynitride syn-thesis. We produced a variety of SrNbO 2 N film thicknesses (20-440 nm) on n + -Si(100) surfaces. Roughness factor (0.14-21) scaled with thickness. The intrinsic photoelectrochemical activity of these devices was evaluated using a low-barrier sacrificial electron donor. Photocurrent density and photovoltage revealed a significant (and non-linear) dependence on film thickness and roughness. Furthermore, absorption length, carrier diffusion length, and surface area were each found to play key roles. Balancing these is required for optimally performing devices.

08 HYDROGEN↗
DOE OSTI2021

Swelling-Assisted Sequential Infiltration Synthesis of Nanoporous ZnO Films with Highly Accessible Pores and Their Sensing Potential for Ethanol

Here, we report a swelling-assisted sequential infiltration synthesis (SIS) approach for the design of highly porous zinc oxide (ZnO) films by infiltration of block copolymer templates such as polystyrene-block- polyvinyl pyridine with inorganic precursors followed by UV ozone-assisted removal of the polymer template. We show that porous ZnO coatings with the thickness in the range between 140 and 420 nm can be obtained using only five cycles of SIS. The pores in ZnO fabricated via swelling-assisted SIS are highly accessible, and up to 98% of pores are available for solvent penetration. The XPS data indicate that the surface of nanoporous ZnO films is terminated with -OH groups. Density functional theory calculations show a lower energy barrier for ethanol-induced release of the oxygen restricted depletion layer in the case of the presence of -OH groups at the ZnO surface, and hence, it can lead to higher sensitivity in sensing of ethanol. We monitored the response of ZnO porous coatings with different thicknesses and porosities to ethanol vapors using combined mass-based and chemiresistive approaches at room temperature and 90 °C. The porous ZnO conformal coatings reveal a promising sensitivity toward detection of ethanol at low temperatures. In conclusion our results suggest the excellent potential of the SIS approach for the design of conformal ZnO coatings with controlled porosity, thickness, and composition that can be adapted for sensing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

First-Principles Studies of Tritium Species Diffusivity Across the Interfaces of Ni-NiZr Alloy-Zircaloy-4

A tritium producing assembly, also known as tritium producing burnable absorber rods (TPBARs), consists of a metal getter tube located between the cladding and γ-LiAlO2 pellets. The metal getter tube is composed of a nickel (Ni) layer coated on Zircaloy-4. The getter assembly is used to capture tritium (3H) species (mainly 3H2 and 3H2O) generated from γ-LiAlO2 pellets during irradiation. Exploring 3H species (3H2, 3H2O) dissociation on the Ni surface and diffusion in the Ni layer and across the interface of Ni-plated Zircaloy-4 getters can provide insights on tritium transport and retention in the pellets and the getter materials. . In FY25, based on the ideal interface model of Ni-Zircaloy-4 generated in FY24, we will further explore the diffusion pathways of 3H across such Ni-ZrNi-alloy layer-Zircalory-4 interfaces under different conditions, including with oxide/hydroxide clusters on the Ni layer, and impurities located in ZrNi-alloy and Zircalory-4 layers. Due to the size limitation of DFT simulation, we will separate the 3-layer system into 3 sub-systems: Ni-ZrNi interface, ZrNi alloy layer, ZrNi-alloy-Zircaloy-4 interface, and simulate the diffusion barriers for tritium.

diffusion barrier↗
NASA NTRS1980

A base-metal conductor system for silicon solar cells

Solder, copper, and silver are evaluated as conductor layer metals for silicon solar cell metallization on the basis of metal price stability and reliability under operating conditions. Due to its properties and cost, copper becomes an attractive candidate for the conductor layer. It is shown that nickel operates as an excellent diffusion barrier between copper and silicon while simultaneously serving as an electrical contact and mechanical contact to silicon. The nickel-copper system may be applied to the silicon by plating techniques utilizing a variety of plating bath compositions. Solar cells having excellent current-voltage characteristics are fabricated to demonstrate the nickel-copper metallization system.

Coleman, M. G.↗
NASA NTRS1990

Advanced Reusable Foam Cryogenic Insulation

Lightweight, reusable cryogenic containers reduce costs of operation of advanced hypersonic airplanes and space launch vehicles. Specimens demonstrated in temperature range of negative 420 to positive 400 degrees F (negative 251 to positive 204 degrees C). Prototype reusable cryogenic foam insulation developed. Consists of two discrete layers of closed-cell polymethacrylimide foam of density 6.9 lb/ft to the 3rd power (111 kg/m to the 3rd power) bonded together with epoxy adhesive. Additionally reinforced with 0.003-in. (0.08-mm)-thick layer of fiberglass cloth. Wrapped with precut and preformed vapor-barrier cover. Such containers useful on Earth in laboratories, factories, and transportation systems.

Taylor, Allan H.↗
NASA NTRS1993

Design, analysis, and fabrication of oxide-coated iridium/rhenium combustion chambers

Iridium-coated rhenium (Ir/Re) combustion chambers provide high temperature, oxidation-resistant operation for radiation-cooled liquid-fueled rocket engines. A 22-N (5-lb(sub f)) chamber has been operated for 15 hours at 2200 C (4000 F) using nitrogen tetroxide/monomethyl hydrazine (NTO/MMH) propellant, with negligible internal erosion. The oxidation resistance of these chambers could be further increased by the addition of refractory oxide coatings, providing longer life and/or operation in more oxidizing and higher temperature environments. The oxide coatings would serve as a thermal and diffusion barrier for the iridium coating, lowering the temperature of the iridium layer while also preventing the ingress of oxygen and egress of iridium oxides. This would serve to slow the failure mechanisms of Ir/Re chambers, namely the diffusion of rhenium to the inner surface and the oxidation of iridium. Such protection could extend chamber lifetimes by tens or perhaps hundreds of hours, and allow chamber operation on stoichiometric or higher mixture ratio oxygen/hydrogen (O2/H2) propellant. Extensive thermomechanical, thermochemical, and mass transport modeling was performed as a key material/structure design tool. Based on the results of these analyses, several 22-N oxide-coated Ir/Re chambers were fabricated and delivered to NASA Lewis Research Center for hot-fire testing.

Jang, Q.↗
NASA NTRS1999

Controlled Thermal Expansion Coat for Thermal Barrier Coatings

A improved thermal barrier coating and method for producing and applying such is disclosed herein. The thermal barrier coating includes a high temperature substrate, a first bond coat layer applied to the substrate of MCrAlX, and a second bond coat layer of MCrAlX with particles of a particulate dispersed throughout the MCrAlX and the preferred particulate is Al2O3. The particles of the particulate dispersed throughout the second bond coat layer preferably have a diameter of less then the height of the peaks of the second bond coat layer, or a diameter of less than 5 microns. The method of producing the second bond coat layer may either include the steps of mechanical alloying of particles throughout the second bond coat layer, attrition milling the particles of the particulate throughout the second bond coat layer, or using electrophoresis to disperse the particles throughout the second bond coat layer. In the preferred embodiment of the invention, the first bond coat layer is applied to the substrate, and then the second bond coat layer is thermally sprayed onto the first bond coat layer. Further, in a preferred embodiment of die invention, a ceramic insulating layer covers the second bond coat layer.

Brindley, William J.↗