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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
DOE OSTI2015

Laser powder bed fusion additive manufacturing of metals; physics, computational, and materials challenges

The production of metal parts via laser powder bed fusion additive manufacturing is growing exponentially. However, the transition of this technology from production of prototypes to production of critical parts is hindered by a lack of confidence in the quality of the part. Confidence can be established via a fundamental understanding of the physics of the process. It is generally accepted that this understanding will be increasingly achieved through modeling and simulation. However, there are significant physics, computational, and materials challenges stemming from the broad range of length and time scales and temperature ranges associated with the process. In this study, we review the current state of the art and describe the challenges that need to be met to achieve the desired fundamental understanding of the physics of the process.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Quantum resonance of nanometre-scale metal-ZnO-metal structure and its application in sensors

Analysis of the thickness dependence of the potential profile of the metal-ZnO-metal (MZM) structure has been conducted based on Poisson’s equation and Schottky theory. Quantum scattering theory is then used to calculate the transmission probability of an electron passing through the MZM structure. Results show that the quantum resonance (QR) effect becomes pronounced when the thickness of the ZnO film reaches to around 6 nm. Strain induced piezopotentials are considered as biases to the MZM, which significantly changes the QR according to the analysis. This effect can be potentially employed as nanoscale strain sensors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

We apply a recently developed Wannier-Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. These results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Cooling rate dependence of structural order in Al{sub 90}Sm{sub 10} metallic glass

The atomic structure of Al{sub 90}Sm{sub 10} metallic glass is studied using molecular dynamics simulations. By performing a long sub-T{sub g} annealing, we developed a glass model closer to the experiments than the models prepared by continuous cooling. Using the cluster alignment method, we found that “3661” cluster is the dominating short-range order in the glass samples. The connection and arrangement of “3661” clusters, which define the medium-range order in the system, are enhanced significantly in the sub-T{sub g} annealed sample as compared with the fast cooled glass samples. Unlike some strong binary glass formers such as Cu{sub 64.5}Zr{sub 35.5}, the clusters representing the short-range order do not form an interconnected interpenetrating network in Al{sub 90}Sm{sub 10,} which has only marginal glass formability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

THE s-PROCESS IN ASYMPTOTIC GIANT BRANCH STARS OF LOW METALLICITY AND THE COMPOSITION OF CARBON-ENHANCED METAL-POOR STARS

We present models for the slow neutron-capture process (s-process) in asymptotic giant branch stars of metallicity [Fe/H] = -2.3 and masses 0.9-6 M{sub Sun }. We encountered different regimes of neutron-capture nucleosynthesis listed here increasing in importance as the stellar mass decreases: the {sup 22}Ne({alpha}, n){sup 25}Mg reaction activated during the thermal pulses (TPs), the {sup 13}C({alpha}, n){sup 16}O reaction activated in radiative conditions during the interpulse periods, and the {sup 13}C({alpha}, n){sup 16}O reaction activated during the TPs, also as a result of mild proton-ingestion episodes. The models where the {sup 13}C burns radiatively (masses {approx_equal}2 M{sub Sun }) produce an overall good match to carbon-enhanced metal-poor (CEMP) stars showing s-process enhancements (CEMP-s), except they produce too much Na and F. On the other hand, none of our models can provide a match to the composition of CEMP stars also showing rapid-process enhancements (CEMP-s/r). The models fail to reproduce the observed Eu abundances, and they also fail to reproduce the correlation between the Eu and Ba abundances. They also cannot match the ratio of heavy-to-light s-process elements observed in many CEMP-s/r stars, which can be more than 10 times higher than in the solar system. To explain the composition of CEMP-s/r stars we need to invoke the existence of a different 's/r' neutron-capture process either with features in between the s- and the r-processes, or generated by superpositions of different neutron-capture processes in the same astrophysical site or in sites linked to each other-for example, in multiple stellar systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Nonaffine Strains Control Ductility of Metallic Glasses

The origin of limited plasticity in metallic glasses is elusive, with no apparent link to their atomic structure. In this study, we propose that the response of the glassy structure to applied stress, not the original structure itself, provides a gauge to predict the degree of plasticity. We carried out high-energy x-ray diffraction on various bulk metallic glasses (BMGs) under uniaxial compression within the elastic limit and evaluated the anisotropic pair distribution function. We show that the extent of local deviation from the affine (uniform) deformation in the elastic regime is strongly correlated with the plastic behavior of BMGs beyond yield, across chemical compositions and sample history. The results suggest that the propensity for collective local atomic rearrangements under stress promotes plasticity.

3-dimensional systems↗
DOE OSTI2022

Metal Oxide Varistor (MOV) Lifetime Estimation with Impulse-Based Testing in PV Inverter Systems

Surges caused by lightning strikes could damage electrical components in photovoltaic (PV) systems. Metal oxide varistors (MOVs) are commonly used to protect PV systems from lightning strikes. This paper proposes a holistic impulse-based MOV lifetime estimation framework. The impacts of peak current and fault duration induced by lightning events are considered in the MOV lifetime estimation framework. Moreover, the impact of different parameter combinations on MOV lifetime estimation is analyzed. The effectiveness of the proposed work is validated in a PV inverter test system developed in MATLAB/Simulink.

lifetime estimation↗
DOE OSTI2022

Numerical Analysis of Liquid Metal MHD Flow and Heat Transfer for Open-Surface Li Divertor in FNSF

Within the ongoing U.S.-based program on the development of liquid metal plasma-facing components, numerical simulations and analyses are performed to address the feasibility of the open-surface Li divertor. In the previous scoping studies (Smolentsev, 2021), heat-removal capabilities of the divertor were assessed using a simplified flow model for a slug-type velocity profile and constant flow thickness. Here, new analyses take into account forces acting on the flowing Li layer. Three reduced-order mathematical models are applied under the conditions of the U.S. Fusion Nuclear Science Facility (FNSF) to access magnetohydrodynamic (MHD) flow development effects, velocity distribution, and surface waves: 1) fully developed MHD flow; 2) quasi-2-D developing MHD flow; and 3) multiphase MHD flow. The obtained results for MHD flows and the surface heat flux computed with the plasma code scrape-off layer plasma simulation for ITER (SOLPS-ITER) are then used as input data to compute the temperature distribution in the divertor by solving the convection–diffusion energy equation.

Smolentsev, Sergey↗
DOE OSTI2015

Performance enhancement of GaN metal–semiconductor–metal ultraviolet photodetectors by insertion of ultrathin interfacial HfO{sub 2} layer

The authors demonstrate improved device performance of GaN metal–semiconductor–metal ultraviolet (UV) photodetectors (PDs) by ultrathin HfO{sub 2} (UT-HfO{sub 2}) layer on GaN. The UT-HfO{sub 2} interfacial layer is grown by atomic layer deposition. The dark current of the PDs with UT-HfO{sub 2} is significantly reduced by more than two orders of magnitude compared to those without HfO{sub 2} insertion. The photoresponsivity at 360 nm is as high as 1.42 A/W biased at 5 V. An excellent improvement in the performance of the devices is ascribed to allowed electron injection through UT-HfO{sub 2} on GaN interface under UV illumination, resulting in the photocurrent gain with fast response time.

42 ENGINEERING↗
DOE OSTI2016

Enhanced quantum efficiency of photoelectron emission, through surface textured metal electrodes

It is predicted that the quantum efficiency (QE) of photoelectron emission from metals may be enhanced, possibly by an order of magnitude, through optimized surface texture. Through extensive computational simulations, it is shown that the absorption enhancement in select surface groove geometries may be a dominant contributor to enhanced QE and corresponds to localized Fabry–Perot resonances. The inadequacy of extant analytical models in predicting the QE increase, and suggestions for further improvement, are discussed.

42 ENGINEERING↗
DOE OSTI2019

The Electron Structure of Metallic Layers in the Quasi-Two-Dimensional Dual-Layered Organic Metal (BETS){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2})

We have studied the behavior of the Shubnikov–de Haas (SdH) oscillations in the quasi-two-dimensional dual-layered organic metal (BETS){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}). It is established that the spectrum of SdH oscillations in this compound agrees well with theoretical calculations and qualitatively coincides with the analogous spectrum of (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}) isostructural organic metal. The fractional substitution of sulfur by selenium in the cationic layer strongly decreases the values of cyclotron masses. This decrease is most probably caused by weakening of the electron–phonon interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Highly active non-PGM catalysts prepared from metal organic frameworks

Finding inexpensive alternatives to platinum group metals (PGMs) is essential for reducing the cost of proton exchange membrane fuel cells (PEMFCs). Numerous materials have been investigated as potential replacements of Pt, of which the transition metal and nitrogen-doped carbon composites (TM/N x /C) prepared from iron doped zeolitic imidazolate frameworks (ZIFs) are among the most active ones in catalyzing the oxygen reduction reaction based on recent studies. In this report, we demonstrate that the catalytic activity of ZIF-based TM/N x /C composites can be substantially improved through optimization of synthesis and post-treatment processing conditions. Ultimately, oxygen reduction reaction (ORR) electrocatalytic activity must be demonstrated in membrane-electrode assemblies (MEAs) of fuel cells. The process of preparing MEAs using ZIF-based non-PGM electrocatalysts involves many additional factors which may influence the overall catalytic activity at the fuel cell level. Evaluation of parameters such as catalyst loading and perfluorosulfonic acid ionomer to catalyst ratio were optimized. Our overall efforts to optimize both the catalyst and MEA construction process have yielded impressive ORR activity when tested in a fuel cell system.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

The evolution of metallicity and metallicity gradients from z = 2.7 to 0.6 with KMOS{sup 3D}

We present measurements of the [N ii]/Hα ratio as a probe of gas-phase oxygen abundance for a sample of 419 star-forming galaxies at z = 0.6–2.7 from the KMOS{sup 3D} near-IR multi-integral field unit (IFU) survey. The mass–metallicity relation (MZR) is determined consistently with the same sample selection, metallicity tracer, and methodology over the wide redshift range probed by the survey. We find good agreement with long-slit surveys in the literature, except for the low-mass slope of the relation at z∼2.3, where this sample is less biased than previous samples based on optical spectroscopic redshifts. In this regime we measure a steeper slope than some literature results. Excluding the contribution from active galactic nuclei from the MZR reduces sensitivity at the high-mass end, but produces otherwise consistent results. There is no significant dependence of the [N ii]/Hα ratio on star formation rate at fixed redshift and stellar mass. The IFU data allow spatially resolved measurements of [N ii]/Hα, from which we can infer abundance gradients for 180 galaxies, thus tripling the current sample in the literature. The observed gradients are on average flat, with only 15 gradients statistically offset from zero at >3σ. We have modeled the effect of beam smearing, assuming a smooth intrinsic radial gradient and known seeing, inclination, and effective radius for each galaxy. Our seeing-limited observations can recover up to 70% of the intrinsic gradient for the largest, face-on disks, but only 30% for the smaller, more inclined galaxies. We do not find significant trends between observed or corrected gradients and any stellar population, dynamical, or structural galaxy parameters, mostly in agreement with existing studies with much smaller sample sizes. In cosmological simulations, strong feedback is generally required to produce flat gradients at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Impact of Fuel Metal Impurities on the Durability of a Light-Duty Diesel Aftertreatment System

Alkali and alkaline earth metal impurities found in diesel fuels are potential poisons for diesel exhaust catalysts. A set of diesel engine production exhaust systems was aged to 150,000 miles. These exhaust systems included a diesel oxidation catalyst, selective catalytic reduction (SCR) catalyst, and diesel particulate filter (DPF). Four separate exhaust systems were aged, each with a different fuel: ultralow sulfur diesel containing no measureable metals, B20 (a common biodiesel blend) containing sodium, B20 containing potassium, and B20 containing calcium, which were selected to simulate the maximum allowable levels in B100 according to ASTM D6751. Analysis included Federal Test Procedure emissions testing, bench-flow reactor testing of catalyst cores, electron probe microanalysis (EPMA), and measurement of thermo-mechanical properties of the DPFs. EPMA imaging found that the sodium and potassium penetrated into the washcoat, while calcium remained on the surface. Bench-flow reactor experiments were used to measure the standard nitrogen oxide (NOx) conversion, ammonia storage, and ammonia oxidation for each of the aged SCR catalysts. Vehicle emissions tests were conducted with each of the aged catalyst systems using a chassis dynamometer. The vehicle successfully passed the 0.2 gram/mile NOx emission standard with each of the four aged exhaust systems.

02 PETROLEUM↗