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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Crystal growth of device quality GaAs in space

The present program has been aimed at solving the fundamental and technological problems associated with Crystal Growth of Device Quality in Space. The initial stage of the program was devoted strictly to ground-based research. The unsolved problems associated with the growth of bulk GaAs in the presence of gravitational forces were explored. Reliable chemical, structural and electronic characterization methods were developed which would permit the direct relation of the salient materials parameters (particularly those affected by zero gravity conditions) to the electronic characteristics of single crystal GaAs, in turn to device performance. These relationships are essential for the development of optimum approaches and techniques. It was concluded that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail.

Gatos, H. C.↗
DOE OSTI2023

Towards deep computer vision for in-line defect detection in polymer electrolyte membrane fuel cell materials

Polymer Electrolyte Membrane (PEM) fuel cells are a promising source of alternative energy. However, their production is limited by a lack of well-established methods for quality control of their constituent materials like the membrane-electrode assembly during roll-to-roll manufacturing. One potential solution is the implementation of deep learning methods to detect unwanted defects through their detection in scanned images. Here we explore the detection of defects like scratches, pinholes, and scuffs in a sample dataset of PEM optical images using two deep learning algorithms: Patch Distribution Modeling (PaDiM) for unsupervised anomaly detection and Faster-RCNN for supervised object detection. Both methods achieve scores on performance metrics (ROC-AUC and PRO-AUC for PaDiM and AP for Faster-RCNN) that are comparable to their scores on benchmark datasets. These methods also have the potential to detect a wider range of defects compared to IR thermography and previous optical inspection methods. Overall, deep learning shows promise at detecting relevant defects of interest and has the potential to achieve real-time defect detection.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Gate-modulated conductance of few-layer WSe{sub 2} field-effect transistors in the subgap regime: Schottky barrier transistor and subgap impurity states

Two key subjects stand out in the pursuit of semiconductor research: material quality and contact technology. The fledging field of atomically thin transition metal dichalcogenides (TMDCs) faces a number of challenges in both efforts. This work attempts to establish a connection between the two by examining the gate-dependent conductance of few-layer (1-5L) WSe{sub 2} field effect devices. Measurements and modeling of the subgap regime reveal Schottky barrier transistor behavior. We show that transmission through the contact barrier is dominated by thermionic field emission (TFE) at room temperature, despite the lack of intentional doping. The TFE process arises due to a large number of subgap impurity states, the presence of which also leads to high mobility edge carrier densities. The density of states of such impurity states is self-consistently determined to be approximately 1–2 × 10{sup 13}/cm{sup 2}/eV in our devices. We demonstrate that substrate is unlikely to be a major source of the impurity states and suspect that lattice defects within the material itself are primarily responsible. Our experiments provide key information to advance the quality and understanding of TMDC materials and electrical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A Library of Atomically Thin 2D Materials Featuring the Conductive-Point Resistive Switching Phenomenon

Non-volatile resistive switching (NVRS) is a widely available effect in transitional metal oxides, colloquially known as memristors, and of broad interest for memory technology and neuromorphic computing. Until recently, NVRS was not known in other transitional metal dichalcogenides (TMDs), an important material class owing to their atomic thinness enabling the ultimate dimensional scaling. Here, various monolayer or few-layer 2D materials are presented in the conventional vertical structure that exhibit NVRS, including TMDs (MX 2 , M = transitional metal, e.g., Mo, W, Re, Sn, or Pt; X = chalcogen, e.g., S, Se, or Te), TMD heterostructure (WS2/MoS2), and an atomically thin insulator (h-BN). These results indicate the universality of the phenomenon in 2D non-conductive materials, and feature low switching voltage, large ON/OFF ratio, and forming-free characteristic. A dissociation–diffusion–adsorption model is proposed, attributing the enhanced conductance to metal atoms/ions adsorption into intrinsic vacancies, a conductive-point mechanism supported by first-principle calculations and scanning tunneling microscopy characterizations. Our results motivate further research in the understanding and applications of defects in 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Microstructure, magnetic and electric properties of BaTiO{sub 3}–Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposite

Highlights: ► BaTiO{sub 3}/Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} nanocomposites were synthesized by the sol–gel method. ► A large induced strain is induced in the composite. ► The ferroelectric phase transition dependence on the amount of ferrite. - Abstract: xBaTiO{sub 3} + (1 − x)Ni{sub 0.5}Zn{sub 0.5}Fe{sub 1.5}Cr{sub 0.5}O{sub 4} (x = 0.35, 0.5, 0.65) nanocomposites were synthesized by the sol–gel method. The two corresponding intended nanocomposites phases were confirmed by X-ray diffraction, no other foreign phases were present. The microstrain of the nanocomposite was found to depend on the ratio amount of BaTiO{sub 3} (BTO) in the nanocomposites. The tetragonality ratio c/a of BTO approximates its values to be (a = c) at concentration of 65% BTO. Magnetic properties showed superparamgnetic behavior at room temperature. The temperature dependent of dielectric constant measurements showed that the Curie temperature (T{sub c}) of the ferroelectric phase transition varies with different composites ratio. The dielectric properties of the composite increased with increase of ferrite content. The compressed stress generated by the lattice mismatch of the in planes at the interface of the ferroelectric and magnetic phases cause large strain. The mediation of this strain causes strong electromagnetic coupling creating new materials with good quality.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Positron annihilation spectroscopy investigation of vacancy defects in neutron-irradiated 3 C -SiC

We described positron annihilation spectroscopy characterization results for neutron-irradiated 3 C -SiC, with a specific focus on explaining the size and character of vacancy clusters as a complement to the current understanding of the neutron irradiation response of 3 C -SiC. Positron annihilation lifetime spectroscopy was used to capture the irradiation temperature and dose dependence of vacancy defects in 3 C -SiC following neutron irradiation from 0.01 to 31 dpa in the temperature range from 380C °to 790C .° The neutral and negatively charged vacancy clusters were identified and quantified. The results suggest that the vacancy defects that were measured by positron annihilation spectroscopy technique contribute very little to the transient swelling of SiC. Additionally, we used coincidence Doppler broadening measurement to investigate the chemical identity surrounding the positron trapping sites.Finally, we found that silicon vacancy-related defects dominate in the studied materials and the production of the antisite defect C Si may result in an increase in the probability of positron annihilation with silicon core electrons.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Understanding and control of bipolar self-doping in copper nitride

Semiconductor materials that can be doped both n-type and p-type are desirable for diode-based applications and transistor technology. Copper nitride (Cu{sub 3}N) is a metastable semiconductor with a solar-relevant bandgap that has been reported to exhibit bipolar doping behavior. However, deeper understanding and better control of the mechanism behind this behavior in Cu{sub 3}N is currently lacking in the literature. In this work, we use combinatorial growth with a temperature gradient to demonstrate both conduction types of phase-pure, sputter-deposited Cu{sub 3}N thin films. Room temperature Hall effect and Seebeck effect measurements show n-type Cu{sub 3}N with 10{sup 17} electrons/cm{sup 3} for low growth temperature (≈35 °C) and p-type with 10{sup 15} holes/cm{sup 3}–10{sup 16} holes/cm{sup 3} for elevated growth temperatures (50 °C–120 °C). Mobility for both types of Cu{sub 3}N was ≈0.1 cm{sup 2}/Vs–1 cm{sup 2}/Vs. Additionally, temperature-dependent Hall effect measurements indicate that ionized defects are an important scattering mechanism in p-type films. By combining X-ray absorption spectroscopy and first-principles defect theory, we determined that V{sub Cu} defects form preferentially in p-type Cu{sub 3}N, while Cu{sub i} defects form preferentially in n-type Cu{sub 3}N, suggesting that Cu{sub 3}N is a compensated semiconductor with conductivity type resulting from a balance between donor and acceptor defects. Based on these theoretical and experimental results, we propose a kinetic defect formation mechanism for bipolar doping in Cu{sub 3}N that is also supported by positron annihilation experiments. Overall, the results of this work highlight the importance of kinetic processes in the defect physics of metastable materials and provide a framework that can be applied when considering the properties of such materials in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Breakdown characteristics analysis of kV-class vertical GaN PIN rectifiers by wafer-level sub-bandgap photoluminescence mapping

This work reports analysis of the reverse-bias breakdown characteristics of homojunction gallium nitride (GaN) p–i–n (PIN) rectifiers fabricated on bulk GaN substrates. Sub-bandgap photoluminescence mapping at room temperature as a contactless, non-destructive wafer inspection method was performed to analyze the impact of material properties on grown GaN PIN diodes and to study the correlation between defect types and breakdown characteristics of vertical GaN PIN rectifiers. Under the sub-bandgap excitation, yellow luminescence is dominant. The premature breakdown characteristics of the fabricated kV-class vertical GaN PIN rectifiers with nitrogen-implanted floating guard rings are found to be associated with material defects and deep level complexes. Photoluminescence mapping has demonstrated its effectiveness in quantitative analysis of dislocations and other types of defects.

42 ENGINEERING↗
DOE OSTI2017

First-principles engineering of charged defects for two-dimensional quantum technologies

Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation methods for the quantitatively accurate prediction of defect properties. Here, we present an accurate, parameter-free, and efficient procedure to evaluate the quasiparticle defect states and thermodynamic charge transition levels of defects in 2D materials. Importantly, we solve critical issues that stem from the strongly anisotropic screening in 2D materials, that have so far precluded the accurate prediction of charge transition levels in these materials. Using this procedure, we investigate various defects in monolayer hexagonal boron nitride (h-BN) for their charge transition levels, stable spin states, and optical excitations. We identify C B V N (nitrogen vacancy adjacent to carbon substitution of boron) to be the most promising defect candidate for scalable quantum bit and emitter applications.

2D materials↗
DOE OSTI2012

Superlattice-Like Stacking Fault Array in Ion-Irradiated GaN

Controlling defects in crystalline solids is of technological importance for realizing desirable material properties. Irradiation with energetic particles is useful for designing the spatial distribution and concentration of defects in materials. Here, we performed ion irradiation into hexagonal GaN with the wurtzite structure and demonstrated the spontaneous formation of superlattice-like stacking fault arrays. It was found that the modulation period can be controlled by varying the irradiation conditions and subsequent thermal treatments.

Environmental Molecular Sciences Laboratory↗
NASA NTRS2002

Scanning Ultrasonic Spectroscopy System Developed for the Inspection of Composite Flywheels

Composite flywheels are being considered as replacements for chemical batteries aboard the International Space Station. A flywheel stores energy in a spinning mass that can turn a generator to meet power demands. Because of the high rotational speeds of the spinning mass, extensive testing of the flywheel system must be performed prior to flight certification. With this goal in mind, a new scanning system has been developed at the NASA Glenn Research Center for the nondestructive inspection of composite flywheels and flywheel subcomponents. The system uses ultrasonic waves to excite a material and examines the response to detect and locate flaws and material variations. The ultrasonic spectroscopy system uses a transducer to send swept-frequency ultrasonic waves into a test material and then receives the returning signal with a second transducer. The received signal is then analyzed in the frequency domain using a fast Fourier transform. A second fast Fourier transform is performed to examine the spacing of the peaks in the frequency domain. The spacing of the peaks is related to the standing wave resonances that are present in the material because of the constructive and destructive interferences of the waves in the full material thickness as well as in individual layers within the material. Material variations and flaws are then identified by changes in the amplitudes and positions of the peaks in both the frequency and resonance spacing domains. This work, conducted under a grant through the Cleveland State University, extends the capabilities of an existing point-by-point ultrasonic spectroscopy system, thus allowing full-field automated inspection. Results of an ultrasonic spectroscopy scan of a plastic cylinder with intentionally seeded flaws. The result of an ultrasonic spectroscopy scan of a plastic cylinder used as a proof-of-concept specimen is shown. The cylinder contains a number of flat bottomed holes of various sizes and shapes. The scanning system was able to successfully detect all the defects in the material. Ultrasonic spectroscopy results for a second specimen are shown along with a conventional ultrasonic C-scan. The second specimen is a section of a flywheel subcomponent that has a series of drilled holes and notches. This specimen is employed as a defect detection standard to evaluate the various nondestructive evaluation methods under consideration. Scanning results demonstrate the ability of the system to detect flaws on the order of 10 mils in the radial direction and 5 mils in the circumferential direction. Work conducted to date has shown that scanning ultrasonic spectroscopy is a viable tool for the inspection of composite flywheel systems. Ongoing development work is focused on refining the system and scanning parameters for improved resolution and defect detection.

Martin, Richard E.↗
DOE OSTI2020

2D Electrets of Ultrathin MoO 2 with Apparent Piezoelectricity

Since graphene, a variety of 2D materials have been fabricated in a quest for a tantalizing combination of properties and desired physiochemical behavior. 2D materials that are piezoelectric, i.e., that allow for a facile conversion of electrical energy into mechanical and vice versa, offer applications for sensors, actuators, energy harvesting, stretchable and flexible electronics, and energy storage, among others. Unfortunately, materials must satisfy stringent symmetry requirements to be classified as piezoelectric. Here, 2D ultrathin single-crystal molybdenum oxide (MoO 2 ) flakes that exhibit unexpected piezoelectric-like response are fabricated, as MoO 2 is centrosymmetric and should not exhibit intrinsic piezoelectricity. However, it is demonstrated that the apparent piezoelectricity in 2D MoO 2 emerges from an electret-like behavior induced by the trapping and stabilization of charges around defects in the material. Arguably, the material represents the first 2D electret material and suggests a route to artificially engineer piezoelectricity in 2D crystals. Specifically, it is found that the maximum out-of-plane piezoresponse is 0.56 pm V -1 , which is as strong as that observed in conventional 2D piezoelectric materials. The charges are found to be highly stable at room temperature with a trapping energy barrier of ≈2 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Kinetics of photogenerated carbon dangling bonds in organic photovoltaic thin Films: An EPR study

Here, we report an investigation of the early kinetics of photogenerated carbon dangling bond (CDB) formation and annealing in organic photovoltaic bulk heterojunction (BHJ) thin film blends under oxygen- and moisture-free conditions, using X-band electron paramagnetic resonance (EPR) spectroscopy. The study focuses on donor:acceptor BHJ blends of PCE12:PCBM and PCE12:ITIC films, where PCE12 is PBDB-T. The time evolution of CDBs in such drop-cast BHJ films irradiated at 300 nm is monitored. The early kinetics of CDB formation, critical for understanding OPV degradation mechanisms, is studied. Theoretical analysis of the defect growth mechanism suggests a monomolecular defect creation model where the defect count follows a power-law t β with irradiation time t, where β ∼ 0.55–0.58, in excellent agreement with the theoretically expected value of β = 1/2. This model is compatible with CDB formation by the holes in donor sites adjacent to acceptors, likely assisted by energy released from quenching of nearby excitons by the holes, elucidating the physical mechanism underlying CDB formation. This is significant for designing improved materials, which mitigate defect creation, and consequently advancing the development of stable OPV systems.

42 ENGINEERING↗
DOE OSTI2022

Cross-Cutting Metrology Tools for In Operando Characterization of Carrier Dynamics in Photovoltaic Devices (Final Technical Report)

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher V oc and photovoltaic (PV) efficiency. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but not all materials are strongly emissive or otherwise suitable. Time-resolved terahertz spectroscopy is a pump – probe method that presents valuable complementary information, wherein an optical pump pulse photoexcites carriers within the absorber and the transient photoconductivity is probed with a terahertz pulse. Until now, experimental constraints have prohibited the use of terahertz probes to interrogate full device stacks, and measurements were instead made on exfoliated films or films grown on unconventional substrates. However, interfaces are critical to the behavior of photoexcited carriers in solar cells, and the substrates themselves often influence the film growth and bulk properties. Therefore, it is important to probe the behavior of PV absorbers as close as possible to their normal operating conditions. Here we have developed cross-cutting metrology that enable in operando characterization of carrier dynamics and recombination mechanisms in working PV devices. Through a combination of complementary non-contact TRTS and TRPL experiments and modeling, we have obtained key parameters including photoexcited carrier bulk lifetime and interface and back surface recombination velocities with greater precision and accuracy than can be achieved with conventional TRPL alone. By varying pulsed photoexcitation conditions, the contributions of interface and bulk recombination mechanisms can be determined. We have developed and refined this characterization approach by investigating CdTe PVs, which is a well-established technology but with significant margin for further improvements in efficiency. Results were published in Journal of Applied Physics (DOI: 10.1063/5.0064730) and Proceedings of the IEEE PVSC (DOI: 10.1109/PVSC43889.2021.9518559). After validating the approach, we have applied it to correlate recombination rates to processing conditions and material properties, including composition and defects as well as interfaces and surface treatments. Such feedback can inform processing and design choices to enable higher PV efficiency, not only for CdTe, but also CdSe x Te 1-x , CIGS, perovskites, kesterites, and future technologies. A perspective on predicting solar cell performance from terahertz spectroscopy was published in Advanced Energy Materials (DOI: 10.1002/aenm.202102776). The cross-cutting metrology tools developed here will enable determination of the locus and mechanism of performance-limiting recombination in thin film PV devices. This feedback can guide the engineering of PV devices with higher V oc and efficiency, thereby leading to reductions in levelized cost of electricity to meet the SunShot 2030 target of $0.03/kWh for utility-scale PV. Lower costs will enable rapid expansion of renewable electricity generation that is nearly free of carbon emissions. Reducing carbon emissions of the electricity sector is one of the most important solutions to climate change. The project’s specific focus on CdTe PV can benefit First Solar, the US company that is the global leader in CdTe technology, through both technology and workforce development.

14 SOLAR ENERGY↗
DOE OSTI2018

Improving atomic displacement and replacement calculations with physically realistic damage models

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor of 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Detection and Characterization of Imperfections in Composite Pressure Vessels

The thermographic evaluation of composite structures for delaminations, disbonds, inclusions, porosity and microcracking has proven to be a valuable asset in the field of nondestructive testing. Coupling large area coverage, variable sensitivity and minimal surface contact with a photographic type image representation of structural anomalies; thermography has become a primary inspection method for composite structures. Thermography works well for locating both surface and subsurface defects in most composite systems ranging in thickness of up to 0.25 inch (0.64 cm) or more. The thermographic method for inspection of composite structures typically involves applying an external source of heat to the structure and then recording the changes in the surface heat profile manifested by embedded defects or by material property variations. If these temperature variations are large enough and an infrared camera with sufficient sensitivity is used, then the material or structural abnormality can be detected and referred back to its source. Interpreting the information given in a thermogram, can be a difficult task under ideal circumstances and extremely challenging in a real world setting. Variables including depth, thermal conductivity, orientation and size of the abnormality can all have a great influence on how its heat pattern will be seen by the imager. The work discussed in this paper illustrates how the microstructure of several commonly found defects in composite structures relate to their thermographic image counterpart. Two test cases are studied herein, including a large graphite/epoxy RP-1 fuel tank and a graphite composite cryogenic fuel feedline. The structures used in this study were designed to serve as manufacturing proof of concept specimens and to undergo hydroburst testing to verify manufacturing practices and structural design. Prior to hydrostatic testing the structures underwent 100% thermographic evaluation to ensure that no manufacturing or handling damage was present. Due to a large inclusion found in the feedline, it was pulled from service and dissected without performing the hydroproof The thermographic indications found in the RP-1 tank were below critical limits so it underwent a complete hydroproof loading series and finally a hydroburst. Following the hydroburst samples were cut from the tank in regions where thermography had located damage before the test. These regions were thermographically and then were cross-sectioned and photomicrographed.

Walker, James L.↗