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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Pulsed Laser Deposition of Photoresponsive Two-Dimensional GaSe Nanosheet Networks

Here we explore pulsed laser deposition (PLD), a well known and versatile synthesis method principally used for epitaxial oxide thin film growth, for the synthesis of functional metal chalcogenide (GaSe) nanosheet networks by stoichiometric transfer of laser vaporized material from bulk GaSe targets in Ar background gas. Uniform coverage of interconnected, crystalline, few-layer, photoresponsive GaSe nanosheets in both in-plane and out-of-plane orientations were achieved under different ablation plume conditions over ~1.5 cm2 areas. Plume propagation was characterized by in situ ICCD-imaging. High (1 Torr) Ar background gas pressures were found to be crucial for the stoichiometric growth of GaSe nanosheet networks. Individual 1-3 layer GaSe triangular nanosheets of ~ 200 nm domain size were formed within 30 laser pulses, coalescing to form nanosheet networks in as few as 100 laser pulses. The thickness of the deposited networks increased linearly with pulse number, adding layers in a two-dimensional (2D) growth mode while maintaining a surface roughness of 2 GaSe layers for increasing overall thickness. Field effect transistors using these interconnected crystalline GaSe networks showed p-type semiconducting characteristics with mobilities reaching as high as 0.1 cm2V-1s-1. Spectrally-resolved photoresponsivities and external quantum efficiencies ranged from 0.4 AW-1 and 100% at 700 nm, to 1.4 AW-1 and 600 % at 240 nm, respectively. Pulsed laser deposition under these conditions appears to provide a versatile and rapid approach to stoichiometrically transfer and deposit photoresponsive networks of 2D nanosheets with digital thickness control and substrate-scale uniformity for a variety of applications.

GaSe↗
DOE OSTI2023

Nanocone-Modified Surface Facilitates Gas Bubble Detachment for High-Rate Alkaline Water Splitting

The significant amount of gas bubbles generated during high-rate alkaline water splitting (AWS) can be detrimental to the process. The accumulation of bubbles will block the active catalytic sites and hinder the ion and electrolyte diffusion, limiting the maximum current density. Furthermore, the detachment of large bubbles can also damage the electrode's surface layer. Here, a general strategy for facilitating bubble detachment is demonstrated by modifying the nickel electrode surface with nickel nanocone nanostructures, which turns the surface into underwater superaerophobic. Simulation and experimental data show that bubbles take a considerably shorter time to detach from the nanocone-modified nickel foil than the unmodified foil. As a result, these bubbles also have a smaller detachment size and less chance for bubble coalescence. The nanocone-modified electrodes, including nickel foil, nickel foam, and 3D-printed nickel lattice, all show substantially reduced overpotentials at 1000 mA cm -2 compared to their pristine counterpart. The electrolyzer assembled with two nanocone-modified nickel lattice electrodes retains >95% of the performance after testing at ≈900 mA cm -2 for 100 h. In conclusion, the surface NC structure is also well preserved. The findings offer an exciting and simple strategy for enhancing the bubble detachment and, thus, the electrode activity for high-rate AWS.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Search for an axion-like particle in B → K (*) a(→ γγ) decays at Belle

We report a search for an axion-like particle a in B → K (*) a decays using data collected with the Belle detector at the KEKB asymmetric-energy electron-positron collider. The search is based on a 711 fb −1 data sample collected at the Υ(4S) resonance energy, corresponding to a sample of 772 × 10 6 Υ(4S) events. In this study, we search for the decay of the axion-like particle into a pair of photons, a → γγ. We scan the two-photon invariant mass in the range 0.16 GeV–4.50 GeV for the K modes and 0.16 GeV–4.20 GeV for the K * modes. No significant signal is observed in any of the modes, and 90% confidence level upper limits are established on the coupling to the W boson, g aW , as a function of a mass. The limits range from 3 × 10 −6 GeV −1 to 3 × 10 −5 GeV −1 , improving the current constraints on g aW by a factor of two over the most stringent previous experimental results.

B physics↗
DOE OSTI2022

Inhibition of Micro-pitting by Tribofilm-Forming ZrO 2 Nanocrystal Lubricant Additives: A Micro-pitting Rig and Transmission Electron Microscope Study

The drive to reduce fuel consumption in transportation has encouraged the emergence of low viscosity lubricants to reduce viscous losses in the engine, drivetrain, and other components. However, viscosity reduction increases the risk of surface damage, thus motivating the development of new anti-wear (AW) additives. Capped ZrO 2 nanocrystals (NCs) in base oils have been shown to form AW tribofilms within microscale sliding contacts. However, the potential of ZrO 2 NCs to protect surfaces subjected to rolling-sliding contact from macroscale damage, such as micro-pitting, remains unexplored. Here, we explore the ability of ZrO 2 NCs to form protective tribofilms under harsh conditions using a micro-pitting rig (MPR), consisting of a three ring-on-roller configuration. The experiments were conducted in polyalphaolephin (PAO) base oil, with and without 5 nm diameter ZrO 2 NCs, at two levels of slide-to-roll ratio (SRR) (30% and 0%) and at variable test durations up to long durations (119 h). MPR results showed the use of ZrO 2 NCs gives rise to the formation of a tribofilm covering the roller surfaces and decreases the initiation and propagation of micro-pits compared to tests in pure PAO base stock. Transmission electron microscopy (TEM) performed on focused ion beam (FIB) milled cross-sectional samples of the roller surfaces revealed the growth of dense and 50–100 nm thick ZrO 2 -based tribofilms independent of (SRR), indicating the potential for robust micro-pitting fatigue protection. Nevertheless, small cracks localized within the near surface region of the roller tested at the most severe conditions (30% SRR and 119 h) were observed. The initiation of these cracks was directly related to the presence of manganese sulphide (MnS) inclusions in the steel, revealed using TEM combined with energy dispersive spectroscopy (EDS). Furthermore, the results highlight the benefits of the protective tribofilms formed by ZrO 2 NCs and suggest approaches for further optimizing their use.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Compatibility between Various Ionic Liquids and an Organic Friction Modifier as Lubricant Additives

Tribological performance of a boundary lubrication contact is largely dominated by the friction modifier (FM) and antiwear (AW) additives in the lubricant. While oil-soluble ionic liquids (ILs) have recently demonstrated promising AW functionality, their compatibility with FMs is little known and even less understood for nonferrous alloys. Here in this paper, we report the latest results for several selected ILs when used together with an organic FM (OFM) in lubricating a steel–bronze contact. Depending on the IL chemistry, either synergistic or antagonistic effects were observed. The three aprotic ILs ([P 8888 ][DEHP], [P 66614 ][BTMPP], and [P 66614 ][C 17 H 35 COO]) seemed to degrade the OFM’s lubricating performance. In contrast, the protic IL [N 888 H][DEHP] exhibited a strong synergistic effect with the OFM, yielding an ultralow steady-state friction coefficient (0.02) and a low wear rate (<10 –8 mm 3 /(N m)), which significantly outperformed the IL or the OFM alone. Surface characterization found no chemically reacted tribofilm on the bronze worn surface. On the other hand, a unique physically adsorbed surface film as a result of interconnection between the IL and OFM molecules by hydrogen bonds is proposed on the basis of chemical analysis. Such an adsorption surface film is expected to be difficult to compress vertically but easy to shear horizontally, leading to low friction and wear.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ultralow Boundary Lubrication Friction by Three-Way Synergistic Interactions among Ionic Liquid, Friction Modifier, and Dispersant

Interactions among antiwear additives (AWs), friction modifiers (FMs), and dispersant in a lubricating oil are critical for tribological performance. This study investigates compatibilities of three oil-soluble ionic liquids (ILs, candidate AWs) with an FM, molybdenum dithiocarbamate (MoDTC), and a dispersant, polyisobutene succinimide (PIBSI) under boundary lubrication. Either synergistic or antagonistic effects were observed depending on the IL’s chemistry. Adding an aprotic phosphonium–alkylphosphate or phosphonium–alkylphosphinate IL into the oil containing MoDTC and PIBSI had detrimental impact on the friction and wear behavior. PIBSI was found to preferably interact/react with the aprotic IL to lose its ability of suspending MoDTC and to partially consume or even deplete the IL. In contrast, a protic ammonium–alkylphosphate IL seemed to be able to coexist with PIBSI and work synergistically with MoDTC, yielding a sustainable, ultralow boundary friction. A three-stage tribochemical process is proposed to explain how this IL + MoDTC pair interacts with the contact surface to form a chemically reacted, wear-protective tribofilm supporting a physically adsorbed, friction-reducing film on top. We report this study provides fundamental insights of the compatibilities among three common lubricant components, antiwear, friction modifier, and dispersant, which can be used to guide future lubricant development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Microtomographic Measurements of Total Air‐Water Interfacial Areas for Soils

Abstract Synchrotron X‐ray microtomography (XMT) was used to measure total air‐water interfacial areas (A aw ) as a function of water saturation (S w ) for several soils that comprise a range of physical and geochemical properties. Measurements were also conducted for glass beads and quartz sands for comparison. Apparent near‐linearA aw ‐S w relationships are observed for the three sands and the three sandy soils. In contrast, the measured interfacial areas for two soils that contain greater proportions of silt and clay are strongly nonlinear functions of water saturation. The greater degree of nonlinearity observed for these two soils is due to their much greater particle‐size distributions (i.e., uniformity coefficients) and their concomitant greater range in pore sizes. Interfacial areas determined with the thermodynamic method were used to benchmark the XMT measurements. XMT‐measured interfacial areas compare well to the thermodynamic‐determined values for the sands and sandy soils. In contrast, the XMT‐measured interfacial areas for the two soils with larger particle‐size distributions are not fully congruent with the thermodynamic‐determined values. Both of these soils have large fractions of pore space comprising nominal pore diameters smaller than the resolution of the XMT imaging. These results suggest that air‐water interfacial area may not always be fully characterized by standard XMT for soils with large particle‐size distributions.

Environmental Sciences & Ecology↗
DOE OSTI2021

(Hexamethylbenzene)Ru catalysts for the Aldehyde-Water Shift reaction

The Aldehyde-Water Shift (AWS) reaction uses H 2 O as a benign oxidant to convert aldehydes to carboxylic acids, producing H 2 , a valuable reagent and fuel, as its sole byproduct. (Hexamethylbenzene)Ru II complexes are demonstrated to have higher activity and selectivity (up to 95%) for AWS over disproportionation than previously reported catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The ATLAS experiment software on ARM

With an increased dataset obtained during the Run 3 of the LHC at CERN and the even larger expected increase of the dataset by more than one order of magnitude for the HL-LHC, the ATLAS experiment is reaching the limits of the current data processing model in terms of traditional CPU resources based on x86_64 architectures and an extensive program for software upgrades towards the HL-LHC has been set up. The ARM architecture is becoming a competitive and energy efficient alternative. Some surveys indicate its increased presence in HPCs and commercial clouds, and some WLCG sites have expressed their interest. Chip makers are also developing their next generation solutions on ARM architectures, sometimes combining ARM and GPU processors in the same chip. Consequently it is important that the ATLAS software embraces the change and is able to successfully exploit this architecture. We report on the successful porting to ARM of the Athena software framework, which is used by ATLAS for both online and offline computing operations. Furthermore we report on the successful validation of simulation workflows running on ARM resources. For this we have set up an ATLAS Grid site using ARM compatible middleware and containers on Amazon Web Services (AWS) ARM resources. The ARM version of Athena is fully integrated in the regular software build system and distributed in the same way as other software releases. In addition, the workflows have been integrated into the HEPscore benchmark suite which is the planned WLCG wide replacement of the HepSpec06 benchmark used for Grid site pledges. In the overall porting process we have used resources on AWS, Google Cloud Platform (GCP) and CERN. A performance comparison of different architectures and resources will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Analysis of geometric phase effects in the quantum-classical Liouville formalism

We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.

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

Effect of Alfvén waves on the growth rate of the electron-cyclotron maser emission

By using the non-relativistic approximation for the calculation of growth rates, but taking account of the weakly relativistic modification for the electron-cyclotron resonance condition, it is shown that the effect of Alfvén waves (AWs) on the electron-cyclotron maser emission leads to the significant increase of the O-mode growth rate, but has little effect on the X-mode growth rate. We propose that this is because the O-mode wave has the field-aligned polarization sense in the same as the field-aligned oscillatory current, which is created by the field-aligned oscillatory motion of the energetic electrons caused via the presence of AWs. It is this field-aligned oscillatory current that contributes a novel growth rate to the O-mode wave but has little effect on the X-mode wave.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

The Lusi seismic experiment: An initial study to understand the effect of seismic activity to Lusi

The spectacular Lumpur Sidoarjo (Lusi) eruption started in northeast Java on the 29 of May 2006 following a M6.3 earthquake striking the island [1,2]. Initially, several gas and mud eruption sites appeared along the reactivated strike-slip Watukosek fault system [3] and within weeks several villages were submerged by boiling mud. The most prominent eruption site was named Lusi. The Lusi seismic experiment is a project aims to begin a detailed study of seismicity around the Lusi area. In this initial phase we deploy 30 seismometers strategically distributed in the area around Lusi and along the Watukosek fault zone that stretches between Lusi and the Arjuno Welirang (AW) complex. The purpose of the initial monitoring is to conduct a preliminary seismic campaign aiming to identify the occurrence and the location of local seismic events in east Java particularly beneath Lusi.This network will locate small event that may not be captured by the existing BMKG network. It will be crucial to design the second phase of the seismic experiment that will consist of a local earthquake tomography of the Lusi-AW region and spatial and temporal variations of vp/vs ratios. The goal of this study is to understand how the seismicity occurring along the Sunda subduction zone affects to the behavior of the Lusi eruption. Our study will also provide a large dataset for a qualitative analysis of earthquake triggering studies, earthquake-volcano and earthquake-earthquake interactions. In this study, we will extract Green’s functions from ambient seismic noise data in order to image the shallow subsurface structure beneath LUSI area. The waveform cross-correlation technique will be apply to all of recordings of ambient seismic noise at 30 seismographic stations around the LUSI area. We use the dispersive behaviour of the retrieved Rayleigh waves to infer velocity structures in the shallow subsurface.

58 GEOSCIENCES↗
DOE OSTI2013

EFFECTS OF ALFVEN WAVES ON ELECTRON CYCLOTRON MASER EMISSION IN CORONAL LOOPS AND SOLAR TYPE I RADIO STORMS

Solar type I radio storms are long-lived radio emissions from the solar atmosphere. It is believed that these type I storms are produced by energetic electrons trapped within a closed magnetic structure and are characterized by a high ordinary (O) mode polarization. However, the microphysical nature of these emissions is still an open problem. Recently, Wu et al. found that Alfven waves (AWs) can significantly influence the basic physics of wave-particle interactions by modifying the resonant condition. Taking the effects of AWs into account, this work investigates electron cyclotron maser emission driven by power-law energetic electrons with a low-energy cutoff distribution, which are trapped in coronal loops by closed solar magnetic fields. The results show that the emission is dominated by the O mode. It is proposed that this O mode emission may possibly be responsible for solar type I radio storms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A model for radio emission from solar coronal shocks

Solar coronal shocks are very common phenomena in the solar atmosphere and are believed to be the drivers of solar type II radio bursts. However, the microphysical nature of these emissions is still an open question. This paper proposes that electron cyclotron maser (ECM) emission is responsible for the generation of radiation from the coronal shocks. In the present model, an energetic ion beam accelerated by the shock first excites the Alfvén wave (AW), then the excited AW leads to the formation of a density-depleted duct along the foreshock boundary of the shock. In this density-depleted duct, the energetic electron beam produced via the shock acceleration can effectively excite radio emission by ECM instability. Our results show that this model may potentially be applied to solar type II radio bursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Experience in using commercial clouds in CMS

Historically high energy physics computing has been performed on large purpose-built computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Virtual machine provisioning, code management, and data movement design for the Fermilab HEPCloud Facility

The Fermilab HEPCloud Facility Project has as its goal to extend the current Fermilab facility interface to provide transparent access to disparate resources including commercial and community clouds, grid federations, and HPC centers. This facility enables experiments to perform the full spectrum of computing tasks, including data-intensive simulation and reconstruction. We have evaluated the use of the commercial cloud to provide elasticity to respond to peaks of demand without overprovisioning local resources. Full scale data-intensive workflows have been successfully completed on Amazon Web Services for two High Energy Physics Experiments, CMS and NOνA, at the scale of 58000 simultaneous cores. This paper describes the significant improvements that were made to the virtual machine provisioning system, code caching system, and data movement system to accomplish this work. The virtual image provisioning and contextualization service was extended to multiple AWS regions, and to support experiment-specific data configurations. A prototype Decision Engine was written to determine the optimal availability zone and instance type to run on, minimizing cost and job interruptions. We have deployed a scalable on-demand caching service to deliver code and database information to jobs running on the commercial cloud. It uses the frontiersquid server and CERN VM File System (CVMFS) clients on EC2 instances and utilizes various services provided by AWS to build the infrastructure (stack). We discuss the architecture and load testing benchmarks on the squid servers. We also describe various approaches that were evaluated to transport experimental data to and from the cloud, and the optimal solutions that were used for the bulk of the data transport. Finally, we summarize lessons learned from this scale test, and our future plans to expand and improve the Fermilab HEP Cloud Facility.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

(Invited) HydroGEN: An AWSM Energy Materials Network

The HydroGEN (https://www.h2awsm.org/) energy materials network (EMN) aims to accelerate the research and development (R&D) of advanced water splitting (AWS) technologies for clean, sustainable hydrogen production. Announced in October 2016, the HydroGEN EMN comprises six core National Laboratories and focuses on four AWS pathways: low- and high-temperature electrolysis, photoelectrochemical, and solar thermochemical water splitting. The HydroGEN consortium offers an extensive collection of materials research capabilities for addressing R&D challenges in discovery and design, efficacy and efficiency, durability and cost. Leveraging the HydroGEN Consortium's technical experts and broad collection of unique resource capabilities is expected to advance the maturity and technology readiness levels in each advanced water splitting technology pathway.

08 HYDROGEN↗
DOE OSTI2020

materialsCloudCompute

materialsCloudCompute (mCC) is a software package for running easily parallelizable materials science theoretical computations on Amazon Web Services (AWS) infrastructure. mCC provides tools to partition out computational problem into smaller subproblems which can be run in parallel, and ensure that each of those subproblems completes successfully. It utilizes the following AWS services: EC2, S3, and RDS. It operates by launch a managing EC2 instance, which can launch worker instances that perform the calculations. The Managing instance tracks the subproblems and ensures that the Worker instances continue to operation, killing and relaunching them if they fail.

Forbes, David↗